data_2dm1_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 2dm1 _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 ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.2 p -122.59 144.55 49.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.751 0.31 . . . . 0.0 111.143 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.27 145.89 48.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.079 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -114.58 118.85 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.72 103.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.082 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -79.82 -5.02 54.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -146.4 136.88 23.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 -62.29 132.57 53.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -139.38 117.75 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.22 122.4 35.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.98 129.74 40.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -90.99 -42.44 10.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -97.34 140.31 31.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -22.21 4.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -74.73 -40.7 61.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -64.97 166.94 8.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.8 tp -119.62 129.02 54.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.6 m -68.3 136.32 53.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.8 mt -119.4 136.08 54.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -121.62 139.37 53.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -47.97 106.27 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.09 19.19 15.26 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.455 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -101.88 112.66 25.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.842 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 32' ' ' VAL . 47.8 t -73.87 143.56 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.453 ' N ' HG13 ' A' ' 31' ' ' VAL . 3.2 t -137.01 130.98 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.44 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 2.4 mpt_? -85.01 145.87 27.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 79.7 mt -98.88 102.62 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -84.41 -57.18 3.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -124.57 132.81 53.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.806 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -84.37 -35.39 23.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.841 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.5 pt -132.31 145.98 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.41 -44.64 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.493 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -119.32 -83.0 0.81 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.517 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.3 141.61 44.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.309 . . . . 0.0 110.856 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.19 139.88 56.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.62 -57.78 1.91 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -57.1 142.92 40.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.476 ' CE3' ' HB2' ' A' ' 58' ' ' SER . 37.5 m0 -127.34 152.31 47.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.8 tttm -101.89 114.42 28.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.44 ' CA ' ' O ' ' A' ' 33' ' ' ARG . . . -129.44 -153.38 7.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.506 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -168.33 134.98 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.386 . . . . 0.0 110.931 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -164.29 145.93 8.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 57.96 27.61 14.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.37 31.09 68.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -129.36 137.85 51.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.461 HG21 ' N ' ' A' ' 54' ' ' GLY . 3.6 mp -128.02 138.97 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.461 ' N ' HG21 ' A' ' 53' ' ' ILE . . . 176.42 -155.69 19.44 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.459 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -108.71 122.75 47.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -130.46 143.98 51.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 149.48 67.5 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.715 2.277 . . . . 0.0 112.347 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.476 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.3 t -94.21 -14.13 25.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.0 p -77.46 -24.48 50.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -85.18 -11.09 55.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 35.0 m -114.4 171.41 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -127.76 111.71 13.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -58.6 107.98 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 -179.917 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.1 p -131.52 140.71 49.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 111.076 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.57 159.44 27.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 p -121.49 131.42 73.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.01 110.19 5.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.08 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -82.8 -7.56 59.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -152.68 148.83 27.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -73.32 134.58 44.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 17' ' ' ALA . 14.4 t80 -122.93 153.59 39.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.426 ' N ' ' CD1' ' A' ' 16' ' ' PHE . . . -118.7 103.88 10.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.081 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.97 105.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.067 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -43.92 -39.47 4.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -152.59 170.61 19.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.3 tpp -39.52 -54.39 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -39.05 -58.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.16 167.32 5.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.1 tp -126.95 118.66 24.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.0 p -70.07 146.0 51.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 mt -127.28 143.61 51.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -119.49 134.22 55.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -39.79 103.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.48 7.97 29.35 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.506 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -87.08 119.01 26.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.0 t -86.33 121.78 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.071 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.492 HG11 ' CZ ' ' A' ' 56' ' ' PHE . 20.7 t -107.94 142.2 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.9 mtt-85 -101.32 102.75 13.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.0 mt -62.83 105.99 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -92.53 -53.18 4.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.6 m -116.76 146.21 42.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.3 mtm-85 -107.42 -44.88 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.3 pt -70.14 147.79 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.82 142.4 11.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.506 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.77 -139.66 11.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -119.75 46.14 2.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.763 0.316 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 57.58 26.72 13.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 176.52 34.3 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.452 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.436 ' CZ3' ' HD3' ' A' ' 57' ' ' PRO . 24.3 m95 -137.05 153.76 50.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.8 0.334 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 26.9 m0 -134.73 162.34 32.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -111.26 113.09 25.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -132.82 -156.95 8.32 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.435 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -157.26 141.46 16.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.94 0.4 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.464 HG22 ' ND2' ' A' ' 50' ' ' ASN . 13.9 t -166.08 148.9 7.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.17 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.464 ' ND2' HG22 ' A' ' 49' ' ' THR . 17.0 p30 48.13 28.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.17 30.39 60.98 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.8 mtt-85 -128.4 126.96 41.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.3 mt -123.6 136.33 60.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 173.23 -158.51 28.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -100.66 119.53 38.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.492 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 29.7 p90 -127.37 144.38 50.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.65 0.738 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.436 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 53.9 Cg_endo -69.74 143.68 51.69 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.1 p -83.67 -22.22 32.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.2 t -68.18 -23.89 64.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -83.18 -18.76 38.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 m -117.85 164.96 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -128.77 134.28 48.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -82.99 105.27 13.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.917 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.9 p -134.62 153.82 51.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.814 0.34 . . . . 0.0 111.161 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.438 ' CB ' HG22 ' A' ' 61' ' ' VAL . . . -132.31 163.87 27.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.081 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.4 t -122.45 134.06 66.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 27' ' ' ARG . . . -65.61 115.79 6.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.459 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 4.7 mmp_? -91.12 -22.47 20.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.41 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 27.8 m-85 -150.13 145.0 26.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -61.2 143.17 56.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -152.78 127.28 9.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.51 125.1 46.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.13 134.49 57.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 70.8 mtp85 -73.69 -43.36 59.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -132.25 162.99 29.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.31 -20.92 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -70.95 -47.42 59.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 1.1 mp0 -70.1 163.62 25.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.0 tp -119.78 132.81 55.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.0 t -70.26 157.39 37.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.459 ' CD2' HG22 ' A' ' 32' ' ' VAL . 64.0 mt -142.8 135.46 27.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 12' ' ' ALA . 37.2 ttp180 -122.15 147.53 46.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -49.83 102.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.94 -34.85 4.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -46.41 117.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.2 t -91.35 111.08 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.519 HG11 ' CE1' ' A' ' 56' ' ' PHE . 7.6 t -96.68 145.68 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.405 ' N ' HG12 ' A' ' 32' ' ' VAL . 59.3 ttt180 -101.75 104.76 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.8 mt -61.46 101.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -82.76 -54.3 5.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -131.97 144.79 51.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.462 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 38.3 mtp180 -94.99 -42.15 8.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 pp -73.12 170.06 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.63 -98.94 0.6 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.25 -175.86 8.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -44.42 153.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.753 0.311 . . . . 0.0 110.847 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -51.88 104.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 130.52 -42.99 1.34 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.427 ' CZ3' ' HD3' ' A' ' 57' ' ' PRO . 67.6 m95 -66.54 130.54 43.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.745 0.307 . . . . 0.0 110.971 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.462 ' CD1' ' HA ' ' A' ' 37' ' ' ARG . 17.1 m0 -117.35 -176.66 3.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -133.0 117.73 17.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -138.57 -159.38 8.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.489 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -155.52 143.72 20.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.389 . . . . 0.0 110.844 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.0 t -168.92 148.82 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 48.83 31.8 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.61 29.44 71.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -126.88 124.9 40.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.755 0.312 . . . . 0.0 110.894 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.3 mt -118.0 152.06 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.64 -163.43 31.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.519 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -98.35 122.18 41.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.519 ' CE1' HG11 ' A' ' 32' ' ' VAL . 26.6 p90 -125.49 145.85 52.54 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.643 0.735 . . . . 0.0 110.838 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.427 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 53.6 Cg_endo -69.81 167.99 22.91 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.254 . . . . 0.0 112.307 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.421 ' HB3' ' CZ3' ' A' ' 45' ' ' TRP . 42.3 p -107.62 -21.29 12.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 82.1 p -72.08 -24.29 61.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -85.93 -19.88 29.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.438 HG22 ' CB ' ' A' ' 10' ' ' ALA . 4.8 m -118.88 163.3 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -117.06 129.13 55.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -74.94 107.51 7.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.937 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.5 p -137.16 150.75 48.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 111.19 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.33 166.56 16.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.3 p -124.99 128.88 73.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.34 107.24 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.411 ' NE ' ' HA ' ' A' ' 13' ' ' ARG . 2.8 mmp_? -83.32 -5.68 59.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -152.75 156.0 38.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -75.31 117.26 16.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.43 ' CD2' HD11 ' A' ' 26' ' ' LEU . 46.8 t80 -125.97 140.22 52.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.73 142.07 47.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.28 97.27 4.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -48.58 -41.36 30.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -116.66 -175.01 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.416 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 20.1 ptt? -80.02 -35.29 37.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 21' ' ' MET . 12.8 ptm180 -69.9 -7.47 40.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -93.78 163.32 13.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.416 ' CD1' ' HB3' ' A' ' 52' ' ' ARG . 63.9 tp -119.8 119.45 33.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.967 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.2 m -71.53 137.32 48.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.43 HD11 ' CD2' ' A' ' 16' ' ' PHE . 2.8 mt -121.52 139.73 53.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.447 ' CZ ' ' HB3' ' A' ' 27' ' ' ARG . 17.8 ttp-105 -118.32 138.26 52.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -38.7 104.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.16 18.11 20.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -91.0 115.71 28.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 0.0 110.824 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.2 t -80.67 125.83 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.7 t -114.07 146.32 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.4 mtt85 -103.28 104.37 14.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 55.3 mt -64.01 100.98 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -81.42 -46.25 14.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -130.89 107.91 9.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.565 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 28.5 ttt180 -68.0 -28.27 67.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.5 mt -108.64 128.22 64.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -152.94 -127.95 1.28 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.72 -95.21 0.95 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.469 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.54 ' CB ' ' CD1' ' A' ' 44' ' ' TRP . 74.1 m-20 -38.15 149.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -85.24 45.75 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.914 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.97 31.49 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.54 ' CD1' ' CB ' ' A' ' 41' ' ' ASP . 33.4 m95 -128.97 159.27 36.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.741 0.305 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.565 ' CD1' ' HA ' ' A' ' 37' ' ' ARG . 24.2 m0 -141.27 160.59 39.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -107.32 116.22 31.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.98 -160.66 9.36 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -164.03 143.76 8.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.952 0.406 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.4 t -168.4 145.45 3.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.3 m120 53.93 32.62 15.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.49 36.48 77.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.416 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 31.7 mmt180 -133.81 119.01 18.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 110.878 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.4 mt -115.47 144.22 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.49 -154.64 25.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 91.9 m95 -100.69 130.52 46.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -130.55 144.77 54.69 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.667 0.746 . . . . 0.0 110.864 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 120.01 6.87 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.658 2.239 . . . . 0.0 112.376 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.3 p -74.36 -3.96 33.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.6 p -88.24 -34.55 17.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -78.28 -0.95 30.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.8 m -119.75 177.86 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -138.81 109.86 6.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -56.35 112.31 1.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.944 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.1 p -142.85 137.91 29.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.764 0.316 . . . . 0.0 111.164 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.32 171.8 7.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 p -134.6 132.53 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.81 115.19 6.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.111 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -92.23 -12.58 32.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -148.57 147.76 29.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -71.49 133.05 45.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -140.06 136.29 33.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.01 123.52 47.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.87 124.53 23.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.411 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . 2.6 ptm85 -75.69 -44.99 39.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -108.24 165.12 11.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 29.7 ttm -61.23 -51.95 66.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -45.65 -42.54 11.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -60.55 166.76 2.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.411 ' CD1' ' HB3' ' A' ' 52' ' ' ARG . 43.3 tp -129.16 131.38 47.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.4 p -68.17 139.8 56.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.5 mt -120.57 127.31 52.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.5 ttm-85 -120.42 139.49 52.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -47.22 103.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.92 -34.87 4.54 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -51.55 108.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.426 HG11 ' N ' ' A' ' 32' ' ' VAL . 48.8 t -75.53 139.1 19.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.426 ' N ' HG11 ' A' ' 31' ' ' VAL . 5.8 t -129.22 145.35 35.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.445 ' HG2' ' CE1' ' A' ' 35' ' ' TYR . 45.8 ttt180 -108.94 109.21 20.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.7 mt -65.14 101.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.445 ' CE1' ' HG2' ' A' ' 33' ' ' ARG . 21.8 m-85 -81.61 -59.5 2.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.7 t -108.15 140.67 41.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -93.67 -36.04 12.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 pp -120.77 154.32 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 154.91 -51.5 0.46 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.01 -120.08 1.53 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' GLY . 6.3 t70 -79.16 46.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.772 0.32 . . . . 0.0 110.93 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 41' ' ' ASP . 2.6 tp-100 36.08 32.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -152.81 -53.04 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.568 ' CZ3' ' HD3' ' A' ' 57' ' ' PRO . 14.1 m95 -57.83 161.48 3.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.32 . . . . 0.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 40.9 m0 -123.39 153.01 40.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -110.54 120.45 42.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -131.94 -152.02 7.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -166.78 120.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 0.0 110.933 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.8 t -141.45 143.85 34.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 56.21 27.82 12.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.16 38.98 58.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.455 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.411 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 26.0 mmt-85 -135.81 122.5 20.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.907 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mp -105.01 136.98 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.14 172.42 38.01 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -87.01 129.13 35.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.809 0.338 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -132.8 152.01 79.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.604 0.716 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 53.5 Cg_endo -69.78 152.24 69.16 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.652 2.235 . . . . 0.0 112.364 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.3 p -93.67 -17.71 22.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -73.81 -41.32 62.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -66.28 -15.91 63.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 18.7 m -114.45 178.54 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -135.59 118.25 16.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -71.69 109.34 5.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.2 p -133.9 145.43 49.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 111.155 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.71 168.94 11.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.7 t -133.77 125.14 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.092 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.2 103.26 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.478 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 14.6 mmm180 -85.11 -0.35 54.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.478 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 42.3 m-85 -157.62 149.5 22.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -70.68 128.5 36.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -134.04 130.87 38.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.23 122.1 40.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.94 108.39 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -48.28 -53.35 17.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -122.65 170.12 10.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 29.3 mtt -56.19 -39.28 72.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -57.36 -48.76 78.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -54.6 -177.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.7 tp -136.64 121.24 18.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.1 m -68.88 132.01 46.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.3 mt -113.5 140.94 47.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -122.11 138.54 54.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -43.65 105.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.58 14.26 25.95 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -92.46 112.98 25.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.854 0.359 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 36.6 t -78.52 128.27 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.5 t -121.43 137.66 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -96.94 105.15 17.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.4 mt -58.19 110.7 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -99.42 -54.33 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.407 ' OG ' ' CB ' ' A' ' 46' ' ' LYS . 92.8 p -113.54 144.01 43.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.887 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.501 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 14.8 mmt85 -106.58 -40.81 5.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 pt -109.45 160.84 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 141.93 -42.34 1.15 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.06 -126.28 3.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -82.69 155.13 24.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.748 0.309 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -59.36 110.73 1.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.45 -59.33 0.5 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -47.18 142.58 3.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.74 0.305 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.513 ' CZ3' ' HB2' ' A' ' 58' ' ' SER . 19.6 m0 -135.72 168.26 19.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.935 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.407 ' CB ' ' OG ' ' A' ' 36' ' ' SER . 28.6 tttp -113.15 125.3 54.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.11 -152.52 5.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -160.6 141.0 11.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 110.91 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -163.13 154.43 17.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 44.77 30.35 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.23 34.49 64.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -133.52 123.39 25.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.787 0.327 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.423 HG21 ' N ' ' A' ' 54' ' ' GLY . 51.8 mt -110.65 135.15 50.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.423 ' N ' HG21 ' A' ' 53' ' ' ILE . . . 173.05 -175.19 46.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -86.56 124.24 32.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -126.2 150.39 69.62 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.655 0.741 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 158.21 57.72 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.326 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.513 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 82.7 p -105.32 -12.52 16.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.0 t -86.09 -30.42 22.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -80.71 -3.63 51.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.0 m -123.02 179.62 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -137.43 115.83 11.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -65.14 102.34 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.911 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.6 p -133.09 156.22 47.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 111.128 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.11 163.07 16.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.056 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.5 t -121.94 122.37 66.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.44 103.4 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -80.76 -19.7 44.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -140.91 156.86 46.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -80.99 121.38 25.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -124.82 146.82 49.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.48 120.95 40.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.54 98.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -44.03 -40.18 4.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -131.34 162.6 29.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.7 mtp -52.25 -48.88 64.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -45.55 -41.79 10.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.48 172.42 9.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.9 tp -123.65 134.19 53.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.7 t -73.95 148.34 42.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.4 mt -135.26 130.67 35.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.3 ttp85 -118.48 137.88 52.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -42.12 107.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.28 11.53 33.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -90.07 108.9 20.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.2 t -76.34 122.25 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.178 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.9 t -112.37 143.75 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.3 ttt180 -104.71 104.01 13.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 86.0 mt -60.49 101.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -85.95 -53.73 4.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 m -117.44 128.67 55.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -97.09 -50.56 4.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.3 mt -76.52 110.33 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 163.18 -142.64 8.01 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 38.18 -158.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.05 59.81 3.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.712 0.291 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 53.7 50.22 17.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.2 -57.08 0.21 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.48 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -47.04 157.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.727 0.298 . . . . 0.0 110.918 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -129.95 172.71 11.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -127.25 114.12 17.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -124.45 -152.17 8.28 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -158.89 132.14 7.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.93 0.395 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.3 t -159.87 143.8 14.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 54.8 30.59 13.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.47 32.77 67.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -133.6 136.48 44.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.772 0.32 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.421 HG21 ' N ' ' A' ' 54' ' ' GLY . 5.0 mp -127.62 134.22 65.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.421 ' N ' HG21 ' A' ' 53' ' ' ILE . . . 177.33 -171.14 43.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -86.73 117.83 25.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.795 0.331 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -122.57 148.96 54.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.701 0.763 . . . . 0.0 110.84 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 147.25 62.71 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.73 2.287 . . . . 0.0 112.344 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.4 p -94.57 -10.85 30.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.892 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 61.4 p -84.58 -41.17 16.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.09 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -72.48 -3.51 24.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.1 m -119.24 165.75 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -115.15 116.09 27.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -79.7 96.81 6.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.902 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.6 p -134.39 155.5 50.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.321 . . . . 0.0 111.183 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.412 ' C ' HG21 ' A' ' 11' ' ' VAL . . . -122.07 171.69 8.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.412 HG21 ' C ' ' A' ' 10' ' ' ALA . 21.9 t -134.56 126.64 48.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.57 103.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.136 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.469 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 3.3 mmp_? -77.69 -26.45 50.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -136.88 161.19 36.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -83.99 118.82 24.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -126.88 134.34 50.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.03 116.05 31.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.055 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.2 108.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -54.82 -44.83 74.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.88 167.45 12.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.8 tpp -58.85 -55.05 40.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 86.4 mtt-85 -41.73 -43.39 2.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.73 173.21 2.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.6 tp -125.08 135.96 53.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.7 p -73.84 135.99 43.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.1 mt -119.6 127.93 53.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -120.24 135.48 54.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -42.18 111.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.39 -39.03 2.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.443 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -48.28 121.28 4.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.0 t -93.57 109.75 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.449 HG12 ' CZ ' ' A' ' 56' ' ' PHE . 5.5 t -93.69 143.15 12.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.113 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -102.89 103.28 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.2 mt -63.3 102.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -82.65 -59.01 2.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -121.58 131.47 54.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -93.1 -47.15 7.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.1 mt -93.6 129.64 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -176.93 -76.6 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.7 -134.01 6.8 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.432 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . 80.6 m-20 -50.27 135.1 22.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.737 0.303 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -50.02 147.86 3.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.3 -54.9 3.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.432 ' CD1' ' HB2' ' A' ' 41' ' ' ASP . 93.7 m95 -46.7 118.29 1.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.761 0.315 . . . . 0.0 110.91 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 38.8 m0 -109.07 168.34 9.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -124.33 111.39 15.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -128.93 -145.8 6.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.501 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -174.37 130.47 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 t -157.1 139.12 14.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.163 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 61.49 32.51 18.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.42 32.92 80.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -130.72 124.86 32.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.807 0.337 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 54' ' ' GLY . 23.0 mt -119.61 140.99 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.403 ' N ' HG21 ' A' ' 53' ' ' ILE . . . 176.12 -151.89 12.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 85.3 m95 -115.47 118.16 32.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.809 0.338 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.449 ' CZ ' HG12 ' A' ' 32' ' ' VAL . 27.1 p90 -126.4 144.04 48.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.648 0.737 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 171.88 13.7 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.352 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 87.9 p -104.04 -34.05 8.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.3 p -59.51 -18.42 40.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -93.83 -14.81 25.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.0 m -120.61 160.24 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.085 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -121.93 117.7 27.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -68.1 88.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 79.1 p -123.92 169.82 11.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.8 0.333 . . . . 0.0 111.152 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -142.46 158.1 44.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 p -114.1 128.37 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.51 103.13 2.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.415 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 23.1 mmm180 -73.15 -17.02 61.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 26.5 m-85 -143.72 158.16 43.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.24 149.66 28.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 18' ' ' ALA . 20.3 t80 -140.38 153.33 46.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.91 106.56 11.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.427 ' HA ' ' CZ ' ' A' ' 16' ' ' PHE . . . -54.78 102.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 45.4 mmm-85 -56.97 -34.55 68.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -132.75 152.4 51.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.2 ttp -42.98 -47.54 5.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -45.58 -53.43 9.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -59.58 162.72 4.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 40.8 tp -119.66 127.5 52.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.9 p -71.86 138.7 48.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 69.0 mt -122.42 142.65 50.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.65 137.4 54.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -46.54 106.28 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.62 13.58 25.64 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -95.67 120.09 35.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.838 0.351 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.0 t -83.0 132.3 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.556 HG12 ' CZ ' ' A' ' 56' ' ' PHE . 40.5 t -119.7 137.32 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 tpp85 -97.55 101.56 13.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 55.3 mt -59.24 101.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -81.42 -57.57 3.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -125.0 150.86 46.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -102.45 -37.83 7.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.0 pt -82.83 166.08 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.54 -105.75 0.67 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.89 -81.34 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.473 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . 37.4 m-20 -126.18 141.45 51.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.726 0.298 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 41' ' ' ASP . 3.1 tp60 -36.37 -53.07 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.26 -52.06 14.98 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.473 ' CD1' ' HB2' ' A' ' 41' ' ' ASP . 26.6 m95 -51.07 143.56 10.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 0.0 110.921 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 24.3 m0 -131.76 169.83 15.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.473 ' HB2' ' CZ3' ' A' ' 55' ' ' TRP . 25.2 tttt -119.73 113.98 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.436 ' HA3' ' CG1' ' A' ' 32' ' ' VAL . . . -125.24 -155.23 8.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -158.04 138.84 13.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.933 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.0 t -169.55 134.2 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.201 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 65.05 37.45 6.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.76 34.88 90.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -134.32 132.96 40.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.805 0.336 . . . . 0.0 110.817 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.4 mp -125.74 122.77 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.149 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.94 -173.84 38.36 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.513 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.473 ' CZ3' ' HB2' ' A' ' 46' ' ' LYS . 71.7 m95 -89.76 120.02 30.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.931 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.556 ' CZ ' HG12 ' A' ' 32' ' ' VAL . 20.2 p90 -122.33 145.03 43.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.7 0.762 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 135.49 30.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.338 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.1 p -78.57 -13.11 59.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.5 p -75.8 -29.26 58.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -85.73 -2.0 57.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.7 m -128.89 162.31 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -126.39 125.68 42.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -66.8 118.35 10.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.1 p -135.63 142.87 45.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.739 0.304 . . . . 0.0 111.159 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.88 147.66 47.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -114.03 140.87 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.6 107.74 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -81.25 -24.09 37.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -138.15 144.35 40.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -65.02 120.13 12.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.477 ' HB2' ' CD2' ' A' ' 60' ' ' TYR . 8.3 t80 -130.22 120.72 24.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.12 113.23 24.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.16 129.13 20.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -74.36 -46.73 38.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -113.98 160.1 19.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 31.4 mtt -53.42 -46.68 69.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -48.83 -45.58 40.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.583 ' OE1' ' CZ3' ' A' ' 44' ' ' TRP . 54.1 mm-40 -62.86 165.76 6.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.9 tp -121.37 126.91 50.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 92.2 p -68.42 134.69 50.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 67.6 mt -113.87 131.51 56.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -120.43 133.98 55.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -40.85 103.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.48 -43.15 1.62 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -45.81 119.98 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.8 t -93.17 126.57 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.1 t -111.44 142.9 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -107.85 102.14 11.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.4 mt -54.98 107.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -88.61 -48.52 7.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -123.93 128.72 49.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.0 mtm180 -80.03 -52.22 8.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 39' ' ' GLY . 37.9 mm -106.45 134.65 47.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.412 ' N ' HG22 ' A' ' 38' ' ' ILE . . . -167.91 -83.29 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.16 -130.68 3.49 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.515 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -55.2 173.34 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.728 0.299 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -87.94 133.41 33.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.85 32.56 20.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.583 ' CZ3' ' OE1' ' A' ' 23' ' ' GLU . 62.0 m95 -140.05 137.9 34.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.721 0.296 . . . . 0.0 110.889 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.54 ' CZ3' ' HB2' ' A' ' 58' ' ' SER . 29.9 m0 -118.28 174.43 6.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.0 tttp -134.98 113.56 11.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -130.89 -146.34 5.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -157.84 131.15 7.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.942 0.401 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.4 t -153.09 128.34 9.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.105 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 61.84 35.72 16.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.92 33.61 80.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -131.87 123.18 26.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.335 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.59 139.71 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.6 -177.06 41.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.483 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 43.7 m95 -85.27 121.12 27.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.848 0.356 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -121.66 150.21 54.7 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.69 0.757 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 130.62 19.62 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.54 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 60.3 p -84.76 -3.59 58.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 t -93.32 -13.4 28.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.127 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.477 ' CD2' ' HB2' ' A' ' 16' ' ' PHE . 7.8 m-85 -100.26 -6.61 25.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.5 m -117.41 165.67 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -121.41 123.32 41.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.507 ' OE2' ' CH2' ' A' ' 45' ' ' TRP . 29.9 mt-10 -78.42 97.17 5.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.888 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.455 ' O ' ' CG2' ' A' ' 9' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 8' ' ' GLY . 56.6 p -160.49 148.89 16.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 0.0 111.105 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.06 138.0 51.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 88.4 t -100.92 134.19 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.13 101.06 0.66 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.054 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -78.82 -14.47 59.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -141.93 154.04 44.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.417 ' CG ' ' O ' ' A' ' 15' ' ' ASN . 2.2 p30 -83.2 111.69 19.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -119.35 137.09 53.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.0 119.41 38.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.25 97.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -43.97 -51.56 7.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -118.02 174.63 6.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 22' ' ' ARG . 4.2 ppp? -60.44 -45.17 94.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.44 ' N ' ' SD ' ' A' ' 21' ' ' MET . 25.8 mtm105 -49.55 -47.55 49.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -62.86 166.03 6.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.4 tp -120.46 128.63 53.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.7 m -68.2 123.86 21.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.9 mt -112.1 131.42 55.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -122.33 140.32 52.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -46.38 102.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 123.75 -36.52 2.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -53.07 125.15 16.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.811 0.338 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.6 t -98.86 110.4 26.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.7 t -90.37 135.48 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.087 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -96.76 102.35 14.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.4 mt -58.99 116.69 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -99.38 -55.74 2.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -123.2 137.04 54.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.416 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 68.5 mtt180 -89.02 -36.46 15.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.828 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 51.0 mt -92.0 119.81 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.456 ' C ' ' CZ3' ' A' ' 55' ' ' TRP . . . 139.24 149.31 5.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.0 -100.66 2.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -138.97 172.64 12.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.733 0.302 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -64.85 100.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.56 30.84 7.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.457 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.428 ' CH2' ' HD3' ' A' ' 57' ' ' PRO . 12.3 m95 -129.01 143.88 51.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.732 0.301 . . . . 0.0 110.943 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.416 ' CD1' ' HA ' ' A' ' 37' ' ' ARG . 24.1 m0 -122.35 166.01 15.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.5 tttp -116.82 118.81 33.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.12 -142.26 4.38 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 49' ' ' THR . 0.0 OUTLIER -173.25 140.51 0.86 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 0.0 110.869 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.473 ' N ' ' OE1' ' A' ' 48' ' ' GLU . 13.3 t -147.31 122.58 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 63.53 29.44 15.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.23 -1.42 88.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -93.4 121.49 34.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.459 ' CG2' ' N ' ' A' ' 54' ' ' GLY . 21.6 mt -111.66 159.11 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.459 ' N ' ' CG2' ' A' ' 53' ' ' ILE . . . 150.05 176.32 23.02 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.453 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.456 ' CZ3' ' C ' ' A' ' 39' ' ' GLY . 69.3 m95 -89.41 125.36 35.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.781 0.324 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -129.76 144.0 51.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.657 0.741 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.428 ' HD3' ' CH2' ' A' ' 44' ' ' TRP . 53.7 Cg_endo -69.76 130.91 20.16 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 90.2 p -65.8 -19.94 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.49 -30.94 69.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.444 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 28.7 m-85 -93.98 33.58 1.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.444 ' CG1' ' O ' ' A' ' 60' ' ' TYR . 27.5 m -159.64 158.33 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.143 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -121.73 119.35 31.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -70.27 107.98 3.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.914 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.4 p -120.28 134.46 55.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.803 0.335 . . . . 0.0 111.108 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.5 154.1 30.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.413 HG22 ' CD ' ' A' ' 64' ' ' GLU . 88.1 t -115.32 113.15 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.72 110.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -82.14 -17.84 44.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -142.08 162.23 36.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -87.62 145.91 25.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -142.81 123.85 14.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -93.75 100.31 12.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -37.68 97.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.095 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -54.06 -41.76 68.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.35 176.98 4.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.0 mtm -68.18 -51.02 50.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.5 ptp85 -52.99 -47.05 68.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -50.89 160.11 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.447 ' CD1' ' O ' ' A' ' 52' ' ' ARG . 11.3 tp -119.53 121.51 39.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.0 p -71.19 135.61 47.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.7 mt -122.03 127.89 50.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -105.91 134.44 49.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -39.2 111.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.09 25.92 17.98 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -99.12 111.47 23.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.3 t -71.19 118.31 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.545 HG12 ' CE2' ' A' ' 56' ' ' PHE . 18.6 t -114.22 131.87 64.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -95.42 108.56 20.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.9 mt -64.2 109.32 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -91.78 -56.57 3.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -119.06 146.52 45.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -107.16 -45.64 4.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 49.8 mm -81.64 120.38 33.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 142.45 141.52 3.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.56 -162.75 54.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.16 154.33 4.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.769 0.318 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -56.51 136.38 54.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.57 -45.73 2.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.413 ' CZ3' ' HD3' ' A' ' 57' ' ' PRO . 17.3 m95 -45.56 147.35 0.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.785 0.326 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -134.35 171.08 14.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -115.41 111.03 20.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.49 -160.92 10.84 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.504 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -155.26 143.22 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.92 0.39 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.4 t -168.3 130.98 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.175 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 37.1 t30 63.31 31.9 15.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.16 35.7 70.84 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.447 ' O ' ' CD1' ' A' ' 24' ' ' LEU . 77.1 mtt180 -131.71 121.8 24.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.9 140.99 40.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.12 -167.22 38.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -90.46 128.42 36.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.796 0.331 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.545 ' CE2' HG12 ' A' ' 32' ' ' VAL . 12.3 p90 -134.79 143.99 48.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.653 0.739 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.413 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 54.0 Cg_endo -69.72 132.99 24.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.9 p -73.87 -29.64 62.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.96 -16.52 61.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -89.66 -19.56 24.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.1 m -118.74 167.3 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -126.93 136.77 52.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -87.28 92.23 9.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.413 ' CD ' HG22 ' A' ' 11' ' ' VAL . 20.5 mt-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.7 p -139.9 150.09 44.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.132 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.02 173.52 11.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.117 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 89.9 t -132.43 124.86 52.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.81 119.64 8.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.07 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.468 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 5.9 mmp_? -94.18 -11.93 29.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -153.65 142.19 20.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -64.77 127.87 33.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -131.58 115.18 15.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.76 108.37 20.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.42 126.43 27.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.08 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -81.21 -44.67 17.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -101.79 160.0 14.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.2 mtm -59.53 -47.96 83.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -45.56 -54.7 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -55.71 174.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.4 tp -136.13 126.69 26.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.3 p -69.99 136.58 50.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -120.63 140.17 51.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.9 tpp85 -121.38 135.79 55.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -44.49 112.31 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.86 -36.07 4.63 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -46.78 125.3 7.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.8 t -87.67 126.56 41.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.542 HG11 ' CE2' ' A' ' 56' ' ' PHE . 22.2 t -116.84 125.64 73.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.7 mtt-85 -89.2 105.48 17.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.7 mt -58.97 102.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -77.62 -57.58 3.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -126.02 138.69 53.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.817 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.415 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 16.3 mtm105 -99.56 -41.53 7.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 78.8 mt -72.69 121.45 23.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.116 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.17 152.28 6.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.9 -175.5 17.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -58.65 162.21 4.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.745 0.307 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -58.35 118.55 5.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.62 -49.26 0.88 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.421 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 37.4 m95 -50.15 141.14 11.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.755 0.312 . . . . 0.0 110.932 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.427 ' CH2' ' OE1' ' A' ' 63' ' ' GLU . 22.1 m0 -138.69 171.01 14.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -114.9 121.08 42.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.64 -150.53 5.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.534 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.42 ' OE1' ' C ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -172.17 144.07 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.906 0.384 . . . . 0.0 110.879 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.6 t -172.26 135.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 m120 67.34 29.79 7.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.57 31.61 67.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.5 mtt85 -131.22 131.66 44.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.0 mt -126.57 144.51 36.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.6 -156.27 28.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.445 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -102.22 124.14 47.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.8 0.333 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.542 ' CE2' HG11 ' A' ' 32' ' ' VAL . 23.6 p90 -126.92 144.02 48.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 133.51 25.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.725 2.283 . . . . 0.0 112.36 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.2 t -80.29 -21.24 42.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.8 t -73.67 -10.68 59.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -100.51 -8.45 23.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 m -130.01 156.15 42.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -116.01 148.67 39.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.427 ' OE1' ' CH2' ' A' ' 45' ' ' TRP . 28.8 mt-10 -101.13 104.41 15.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.1 p -138.58 152.26 48.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 111.155 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.23 171.79 13.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.7 p -131.26 127.75 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.8 114.8 5.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -88.5 -19.73 26.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -142.04 141.04 32.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -65.13 136.73 57.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.509 ' HB2' ' CD2' ' A' ' 60' ' ' TYR . 6.1 t80 -137.74 128.72 27.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.6 116.63 31.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.03 123.34 16.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.35 -19.93 41.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -138.42 164.39 29.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.4 mtt -62.61 -36.55 83.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.417 ' HG3' ' CD ' ' A' ' 23' ' ' GLU . 12.9 ptp180 -62.15 -33.9 75.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.417 ' CD ' ' HG3' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -73.4 162.83 28.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.5 tp -123.97 128.5 49.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.7 m -69.67 147.05 51.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.1 mt -127.92 134.52 49.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.0 tpt85 -121.75 137.3 54.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -43.69 104.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.7 -39.2 2.69 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -45.48 117.56 1.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.348 . . . . 0.0 110.851 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.3 t -91.78 114.69 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.512 HG12 ' CE2' ' A' ' 56' ' ' PHE . 38.7 t -98.77 141.49 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -98.78 102.67 14.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.2 mt -57.15 118.72 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -107.16 -48.92 3.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 p -112.9 135.89 53.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.889 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -99.38 -38.91 8.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 pp -122.88 166.61 17.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 129.85 -44.87 1.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -96.21 -143.81 15.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.455 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.96 172.28 8.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -78.17 101.81 7.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.12 35.23 2.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.464 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.7 m95 -137.48 138.85 40.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.776 0.322 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 27.7 m0 -128.33 163.24 25.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -115.76 117.4 30.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.45 ' HA3' ' CG1' ' A' ' 32' ' ' VAL . . . -126.19 -156.9 9.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -158.88 117.14 2.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.952 0.406 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.2 t -144.61 151.5 39.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 34.6 t30 46.33 35.12 2.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.52 36.74 92.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.442 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -135.78 130.3 33.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.756 0.313 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.3 mt -122.97 141.99 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.39 -173.33 41.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -87.62 120.41 28.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.743 0.306 . . . . 0.0 110.924 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.512 ' CE2' HG12 ' A' ' 32' ' ' VAL . 23.5 p90 -123.0 144.65 43.7 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.619 0.723 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 119.42 6.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.1 p -64.71 -33.4 75.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.4 p -59.64 -15.63 20.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.166 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.509 ' CD2' ' HB2' ' A' ' 16' ' ' PHE . 8.1 m-85 -93.9 -19.57 20.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 m -117.43 176.79 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -142.88 135.24 27.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -76.61 94.51 3.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.3 p -119.08 146.1 45.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 0.0 111.128 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.54 153.72 50.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.9 p -121.15 133.98 66.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.083 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 26' ' ' LEU . . . -67.11 112.45 4.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.504 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 8.4 mmm180 -85.09 -9.79 57.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.504 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 24.3 m-85 -145.19 145.13 31.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -68.52 151.76 46.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.5 ' CZ ' ' HA ' ' A' ' 18' ' ' ALA . 3.3 t80 -154.15 123.93 6.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.84 96.24 10.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.093 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.5 ' HA ' ' CZ ' ' A' ' 16' ' ' PHE . . . -40.74 116.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.8 mmt-85 -59.35 -38.87 81.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -140.63 175.37 9.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.3 mtt -56.71 -45.98 81.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -48.64 -42.36 34.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -71.1 -177.62 1.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.401 ' O ' ' CE2' ' A' ' 16' ' ' PHE . 4.9 tp -143.61 123.61 13.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.4 m -73.19 133.89 44.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 3.2 mm? -110.68 143.48 41.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 29' ' ' GLY . 6.9 ttp85 -123.06 141.34 52.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -53.99 87.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' ARG . . . 135.44 -26.25 3.22 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -54.21 142.22 26.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 64.0 t -114.97 110.85 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.51 HG13 ' CE2' ' A' ' 56' ' ' PHE . 5.5 t -94.37 149.23 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.2 mtt-85 -110.2 107.08 16.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.8 mt -59.49 101.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -80.4 -56.53 4.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -123.43 127.8 48.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.3 mtm-85 -88.75 -34.01 17.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.4 mm -88.48 64.69 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -166.32 119.36 0.85 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.28 -168.05 22.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 42' ' ' GLN . 1.7 m-20 -78.23 72.52 4.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.742 0.306 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 41' ' ' ASP . 28.6 tp60 34.75 45.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 174.02 -45.75 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.401 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 25.4 m95 -59.8 159.72 8.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 110.923 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.401 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 32.7 m0 -136.32 169.08 18.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -122.29 120.97 35.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.07 -147.84 4.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -163.79 137.93 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.954 0.407 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.4 t -161.77 134.58 6.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 60.72 34.55 19.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.88 36.32 91.98 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.6 mtt-85 -135.95 122.96 21.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.407 HG21 ' N ' ' A' ' 54' ' ' GLY . 4.0 mp -114.97 142.02 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.407 ' N ' HG21 ' A' ' 53' ' ' ILE . . . 162.68 -175.9 39.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -85.17 120.13 26.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.814 0.34 . . . . 0.0 110.918 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.51 ' CE2' HG13 ' A' ' 32' ' ' VAL . 40.5 p90 -119.73 145.76 40.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.672 0.749 . . . . 0.0 110.837 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 119.29 6.26 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.5 p -66.43 -8.07 23.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.42 -11.21 56.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.169 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -102.0 -5.19 24.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.1 m -121.85 161.02 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 64' ' ' GLU . 3.7 tm-20 -121.46 119.11 31.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.96 82.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' GLU . 85.3 mt-10 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.3 p -138.71 148.99 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 0.0 111.182 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -119.11 161.7 19.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.85 130.63 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.74 102.88 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.433 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 3.8 mmp_? -81.16 -27.92 35.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -140.06 144.88 37.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 41.5 p-10 -63.55 127.15 30.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -137.13 115.46 11.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.27 123.47 31.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.31 115.59 4.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -66.58 -48.97 67.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.829 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -110.9 160.44 16.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.3 ptt? -57.79 -51.13 70.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -46.98 -34.82 5.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -69.38 177.69 2.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 63.9 tp -134.28 125.58 28.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.9 p -68.1 140.25 56.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 44.6 mt -122.48 130.2 52.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.5 tpp85 -121.06 136.33 55.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -39.77 113.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.24 -41.3 2.25 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -45.07 130.34 7.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 78.1 t -100.35 124.85 54.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.7 t -108.23 136.56 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 -94.37 101.66 13.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 83.5 mt -59.59 98.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -81.47 -50.32 9.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.2 m -115.65 152.29 33.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 -115.51 -31.93 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.9 mm -112.97 104.26 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 40' ' ' GLY . . . 169.1 -146.38 10.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.532 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' GLY . . . 34.29 -148.45 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.466 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.418 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . 86.0 m-20 -82.84 -176.94 6.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.729 0.299 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -66.02 99.55 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.04 32.45 8.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.418 ' CD1' ' HB2' ' A' ' 41' ' ' ASP . 24.9 m95 -122.21 150.48 42.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.762 0.315 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.566 ' CZ3' ' HB2' ' A' ' 58' ' ' SER . 23.7 m0 -128.84 169.06 15.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 55' ' ' TRP . 45.5 tttt -113.7 118.81 35.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -136.73 -152.39 6.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.528 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -172.14 143.47 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 110.914 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.7 t -167.98 132.46 1.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 70.56 38.21 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.66 31.44 80.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -132.08 121.75 24.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.749 0.309 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.0 mt -111.83 129.58 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -175.41 -162.37 26.53 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 46' ' ' LYS . 75.3 m95 -101.37 131.52 47.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.779 0.323 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -132.51 149.94 74.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.606 0.717 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -176.13 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.349 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 83.0 p -124.13 -23.01 4.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.0 t -76.9 -27.71 55.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -81.42 -15.77 54.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.8 m -119.16 165.34 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.442 ' OE2' ' C ' ' A' ' 63' ' ' GLU . 2.5 tm-20 -115.06 119.88 37.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.442 ' C ' ' OE2' ' A' ' 62' ' ' GLU . 2.4 mp0 -71.2 104.92 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.918 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 48.0 p -147.31 141.15 25.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 111.149 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.28 151.42 50.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.076 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 p -116.39 134.58 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.76 111.5 4.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -90.55 -2.11 57.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -152.2 143.71 23.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -68.43 116.25 8.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -122.11 129.81 52.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.4 125.57 48.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.93 118.05 7.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.21 -29.45 57.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -133.91 159.85 39.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.0 ptp -53.85 -52.15 61.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -48.69 -33.76 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.526 ' OE2' ' CZ3' ' A' ' 44' ' ' TRP . 0.2 OUTLIER -71.96 169.3 16.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.8 tp -129.95 129.42 43.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.2 p -72.24 148.56 45.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.827 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.7 mt -135.23 131.88 37.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -117.11 146.56 43.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -49.14 110.39 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.56 -31.82 7.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -51.0 133.46 27.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.2 t -106.02 115.17 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.5 t -102.64 125.37 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.415 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 11.0 mpt_? -80.95 129.44 34.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.561 HD12 ' CE3' ' A' ' 45' ' ' TRP . 2.5 mm -81.49 111.12 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -95.38 -53.14 3.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 m -124.47 145.59 49.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.427 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 15.8 mtp180 -102.4 -44.06 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 pp -100.68 167.45 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 147.15 -58.03 0.49 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -113.38 -95.01 2.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 42' ' ' GLN . 10.5 t70 -85.7 166.51 16.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.725 0.298 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.445 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 77.3 mt-30 -86.03 34.49 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.39 -40.66 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.526 ' CZ3' ' OE2' ' A' ' 23' ' ' GLU . 34.4 m95 -64.73 153.44 39.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.902 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.561 ' CE3' HD12 ' A' ' 34' ' ' ILE . 33.3 m0 -132.45 -176.55 4.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -137.27 110.76 7.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 33' ' ' ARG . . . -129.42 -163.56 11.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.526 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -153.2 125.26 7.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.951 0.405 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 t -149.31 139.56 22.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.167 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.416 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 34.2 t30 60.09 28.71 18.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.57 32.93 64.11 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.531 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 65.2 mtt-85 -132.38 125.96 32.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.784 0.326 . . . . 0.0 110.893 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.4 mt -115.87 137.54 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.44 -174.79 44.44 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.508 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 63.1 m95 -87.45 132.53 33.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.819 0.342 . . . . 0.0 110.915 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -135.27 144.14 48.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.664 0.745 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 122.29 8.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.655 2.237 . . . . 0.0 112.396 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.8 p -70.76 -7.22 43.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 40.2 p -81.61 -31.27 32.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -85.66 2.69 44.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.3 m -127.7 165.5 26.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -119.6 119.52 34.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -72.35 128.76 36.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.917 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.436 ' CG2' ' HG2' ' A' ' 33' ' ' ARG . 44.3 p -139.52 148.42 42.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 111.141 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.93 167.96 20.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.2 p -124.96 127.02 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.66 115.68 3.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.464 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 2.2 mmp_? -91.66 -14.76 29.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -149.22 140.12 22.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -67.4 137.37 55.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.512 ' CZ ' ' HA ' ' A' ' 18' ' ' ALA . 4.6 t80 -143.92 117.86 9.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -86.83 98.72 11.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.083 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 16' ' ' PHE . . . -34.55 108.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -48.75 -50.5 33.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -117.94 171.9 7.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 60.7 mtp -58.4 -45.08 89.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.1 mmp_? -48.25 -54.21 14.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.64 -176.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 55' ' ' TRP . 28.4 tp -138.95 134.13 32.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.7 m -72.13 130.29 40.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.6 mt -110.56 134.5 52.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.42 ' HB3' ' CG ' ' A' ' 30' ' ' ASP . 17.7 ttt85 -122.61 141.82 51.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -51.32 108.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.2 -28.22 9.95 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.42 ' CG ' ' HB3' ' A' ' 27' ' ' ARG . 7.6 m-20 -55.93 109.86 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.88 0.371 . . . . 0.0 110.828 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.4 t -83.06 115.78 26.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.478 HG13 ' CE2' ' A' ' 56' ' ' PHE . 7.3 t -102.16 141.59 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.436 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 32.6 mtm-85 -102.32 101.94 12.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.464 HD13 ' CZ3' ' A' ' 45' ' ' TRP . 32.1 mt -56.36 100.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -80.07 -44.24 20.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 m -125.6 106.35 9.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.403 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 25.4 ttt-85 -64.83 -37.2 86.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 39' ' ' GLY . 90.9 mt -134.08 140.99 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.402 ' N ' HG22 ' A' ' 38' ' ' ILE . . . 134.02 29.06 0.47 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.495 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.26 -113.74 1.14 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -93.51 -178.48 4.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -38.53 -50.73 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.7 75.07 0.22 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.522 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.423 ' CZ3' ' HD3' ' A' ' 57' ' ' PRO . 10.5 m95 -128.03 -177.41 4.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.731 0.301 . . . . 0.0 110.917 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.464 ' CZ3' HD13 ' A' ' 34' ' ' ILE . 10.0 m0 -140.93 160.15 40.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -127.79 111.52 13.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -134.42 -158.39 8.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -147.9 137.23 22.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.94 0.4 . . . . 0.0 110.928 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.1 t -161.35 131.93 5.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.0 t30 63.53 27.67 15.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.98 34.91 61.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -133.73 120.76 20.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.769 0.319 . . . . 0.0 110.921 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mp -113.17 127.22 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.48 -169.76 40.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.493 ' O ' ' N ' ' A' ' 24' ' ' LEU . 94.9 m95 -88.76 129.74 35.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.834 0.349 . . . . 0.0 110.957 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.478 ' CE2' HG13 ' A' ' 32' ' ' VAL . 28.1 p90 -131.15 143.95 51.5 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.661 0.743 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.423 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 54.0 Cg_endo -69.76 119.39 6.35 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.628 2.219 . . . . 0.0 112.334 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.459 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 80.8 p -67.63 -30.56 70.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.6 p -64.5 -13.58 52.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -94.72 -15.04 24.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.6 m -116.69 179.94 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -142.78 130.04 20.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -71.35 110.27 5.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.4 p -120.53 146.64 46.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.806 0.336 . . . . 0.0 111.141 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.91 175.2 7.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.3 p -131.47 128.86 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.97 115.73 7.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.059 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.565 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 24.1 mmt180 -91.39 -3.5 56.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.565 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 36.3 m-85 -153.12 145.18 23.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 15' ' ' ASN . 3.4 p30 -74.62 115.72 14.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.468 ' HB2' ' CD2' ' A' ' 60' ' ' TYR . 19.4 t80 -115.92 129.82 56.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.63 107.05 17.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.078 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.64 137.89 48.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -86.29 -40.47 15.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.62 170.02 10.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 31.2 mtm -61.56 -44.02 97.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -49.07 -40.0 29.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -71.84 175.37 5.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 55' ' ' TRP . 10.1 tp -135.57 125.78 26.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.6 p -69.52 154.71 41.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.7 mt -140.41 138.88 35.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -121.94 139.7 53.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -46.45 105.03 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.31 -35.97 4.01 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -47.81 122.18 4.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -93.75 117.85 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.6 t -101.91 143.89 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -102.71 103.84 14.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.8 mt -61.01 116.63 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -98.78 -55.45 2.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -114.58 145.12 42.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -98.54 -43.2 6.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.7 pt -107.84 162.97 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.094 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.95 -33.74 2.49 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.31 -153.46 15.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -63.21 175.12 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -76.62 93.83 3.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.02 39.1 0.98 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 38.4 m95 -139.92 144.7 37.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.752 0.31 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.471 ' CZ3' ' HB2' ' A' ' 58' ' ' SER . 33.5 m0 -129.03 170.41 13.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.439 ' HB2' ' CZ3' ' A' ' 55' ' ' TRP . 75.2 tttt -123.67 125.92 45.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.905 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.14 -155.3 6.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.433 ' HG3' ' CG1' ' A' ' 53' ' ' ILE . 18.8 tt0 -159.15 137.25 10.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.947 0.403 . . . . 0.0 110.902 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -161.58 138.03 8.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.4 t30 60.26 31.48 20.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.32 34.4 80.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.9 mtt85 -134.8 119.85 18.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.433 ' CG1' ' HG3' ' A' ' 48' ' ' GLU . 49.3 mt -110.08 141.05 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 167.78 -170.89 42.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.439 ' CZ3' ' HB2' ' A' ' 46' ' ' LYS . 73.1 m95 -91.52 152.07 20.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -161.08 144.67 9.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.646 0.736 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 121.52 8.2 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.731 2.287 . . . . 0.0 112.328 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.471 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 92.0 p -60.94 -23.76 65.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.8 p -64.45 -38.85 92.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.468 ' CD2' ' HB2' ' A' ' 16' ' ' PHE . 10.0 m-85 -66.28 -16.42 64.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 m -120.29 179.59 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -136.86 128.66 29.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -73.26 127.17 31.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.913 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.7 p -124.3 146.98 48.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.773 0.32 . . . . 0.0 111.147 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.44 161.18 30.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 12' ' ' ALA . 7.7 p -120.98 136.89 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.167 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.436 ' N ' HG23 ' A' ' 11' ' ' VAL . . . -69.44 112.76 6.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.568 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 15.4 mmt180 -87.65 -7.66 57.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 47.0 m-85 -154.31 145.41 22.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.96 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -69.74 138.78 53.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CD1' ' N ' ' A' ' 17' ' ' ALA . 3.1 t80 -136.09 133.8 37.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.436 ' N ' ' CD1' ' A' ' 16' ' ' PHE . . . -101.24 99.51 9.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.8 121.62 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -64.81 -41.05 96.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -137.56 172.97 12.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.9 mmt -59.53 -46.68 88.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -43.08 -43.16 4.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -77.32 -179.95 6.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 55' ' ' TRP . 15.0 tp -137.28 123.06 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.5 p -68.01 149.09 50.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.435 HD13 ' CG1' ' A' ' 61' ' ' VAL . 89.7 mt -124.68 134.94 52.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.7 ttt85 -117.71 139.28 51.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -45.15 113.46 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.76 -36.25 4.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.53 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -46.46 117.8 1.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.873 0.368 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.4 t -92.1 109.53 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.55 HG12 ' CE2' ' A' ' 56' ' ' PHE . 3.3 t -93.64 140.57 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.3 mtm180 -101.86 103.22 13.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.2 mt -61.55 106.15 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -84.48 -56.3 3.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -123.52 145.76 48.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.401 ' HB3' ' NH1' ' A' ' 37' ' ' ARG . 9.0 mtp-105 -106.57 -38.91 6.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.3 pt -93.76 141.93 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 132.84 -39.22 1.77 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.39 -169.46 40.48 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.32 169.17 4.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.823 0.344 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -72.74 89.84 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.52 25.55 1.58 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -140.41 148.7 41.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.699 0.285 . . . . 0.0 110.96 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -128.59 177.66 6.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -130.8 107.47 9.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.81 -142.28 5.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -170.46 141.88 2.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -158.04 133.12 8.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 60.73 37.37 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.8 37.24 93.2 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -134.5 126.35 29.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.403 HG22 ' N ' ' A' ' 54' ' ' GLY . 5.2 mp -116.04 136.55 52.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.403 ' N ' HG22 ' A' ' 53' ' ' ILE . . . 171.47 179.94 42.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.423 ' O ' ' N ' ' A' ' 24' ' ' LEU . 57.5 m95 -85.8 129.51 34.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.773 0.321 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.55 ' CE2' HG12 ' A' ' 32' ' ' VAL . 15.9 p90 -133.81 151.68 77.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 122.1 8.78 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.718 2.279 . . . . 0.0 112.348 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.5 p -76.22 -3.61 37.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 p -90.85 -6.47 54.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -104.39 -6.91 20.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.435 ' CG1' HD13 ' A' ' 26' ' ' LEU . 11.1 m -117.91 169.34 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -124.22 123.59 40.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -69.44 98.99 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.922 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m 52.24 44.18 29.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.894 0.378 . . . . 0.0 110.852 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -120.74 148.92 43.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.05 168.04 33.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p -139.47 173.14 11.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.37 . . . . 0.0 110.814 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.9 m -89.84 150.75 22.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.81 87.73 0.58 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.503 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.24 42.61 4.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.2 p -122.59 144.55 49.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.751 0.31 . . . . 0.0 111.143 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.27 145.89 48.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.079 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -114.58 118.85 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.72 103.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.082 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -79.82 -5.02 54.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -146.4 136.88 23.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 -62.29 132.57 53.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -139.38 117.75 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.22 122.4 35.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.98 129.74 40.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -90.99 -42.44 10.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -97.34 140.31 31.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -22.21 4.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -74.73 -40.7 61.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -64.97 166.94 8.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.8 tp -119.62 129.02 54.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.6 m -68.3 136.32 53.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.8 mt -119.4 136.08 54.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -121.62 139.37 53.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -47.97 106.27 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.09 19.19 15.26 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.455 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -101.88 112.66 25.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.842 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 32' ' ' VAL . 47.8 t -73.87 143.56 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.453 ' N ' HG13 ' A' ' 31' ' ' VAL . 3.2 t -137.01 130.98 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.44 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 2.4 mpt_? -85.01 145.87 27.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 79.7 mt -98.88 102.62 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -84.41 -57.18 3.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -124.57 132.81 53.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.806 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -84.37 -35.39 23.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.841 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.5 pt -132.31 145.98 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.41 -44.64 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.493 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -119.32 -83.0 0.81 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.517 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.3 141.61 44.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.309 . . . . 0.0 110.856 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.19 139.88 56.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.62 -57.78 1.91 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -57.1 142.92 40.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.476 ' CE3' ' HB2' ' A' ' 58' ' ' SER . 37.5 m0 -127.34 152.31 47.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.8 tttm -101.89 114.42 28.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.44 ' CA ' ' O ' ' A' ' 33' ' ' ARG . . . -129.44 -153.38 7.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.506 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -168.33 134.98 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.386 . . . . 0.0 110.931 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -164.29 145.93 8.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 57.96 27.61 14.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.37 31.09 68.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -129.36 137.85 51.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.461 HG21 ' N ' ' A' ' 54' ' ' GLY . 3.6 mp -128.02 138.97 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.461 ' N ' HG21 ' A' ' 53' ' ' ILE . . . 176.42 -155.69 19.44 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.459 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -108.71 122.75 47.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -130.46 143.98 51.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 149.48 67.5 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.715 2.277 . . . . 0.0 112.347 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.476 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.3 t -94.21 -14.13 25.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.0 p -77.46 -24.48 50.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -85.18 -11.09 55.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 35.0 m -114.4 171.41 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -127.76 111.71 13.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -58.6 107.98 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -69.49 128.0 34.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -114.8 -141.75 7.65 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.455 HG23 ' N ' ' A' ' 67' ' ' GLN . 20.1 mt -41.86 139.0 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 0.0 111.113 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.455 ' N ' HG23 ' A' ' 66' ' ' ILE . 31.3 tt0 -127.91 125.17 39.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 68.2 m -66.67 128.06 34.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -100.88 -92.21 2.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.417 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 84.98 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.646 2.231 . . . . 0.0 112.341 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.1 t -122.92 107.84 12.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.3 p -98.75 164.18 12.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.488 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 m -81.1 -61.58 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.916 0.389 . . . . 0.0 110.9 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.4 m -72.53 117.81 14.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.823 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.93 153.32 29.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.0 t -116.88 132.2 56.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.379 . . . . 0.0 110.819 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -99.91 111.53 23.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.826 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.87 118.55 0.54 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.458 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -162.66 50.65 0.32 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.461 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.1 p -131.52 140.71 49.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 111.076 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.57 159.44 27.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 p -121.49 131.42 73.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.01 110.19 5.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.08 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -82.8 -7.56 59.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -152.68 148.83 27.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -73.32 134.58 44.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 17' ' ' ALA . 14.4 t80 -122.93 153.59 39.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.426 ' N ' ' CD1' ' A' ' 16' ' ' PHE . . . -118.7 103.88 10.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.081 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.97 105.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.067 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -43.92 -39.47 4.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -152.59 170.61 19.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.3 tpp -39.52 -54.39 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -39.05 -58.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.16 167.32 5.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.1 tp -126.95 118.66 24.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.0 p -70.07 146.0 51.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 mt -127.28 143.61 51.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -119.49 134.22 55.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -39.79 103.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.48 7.97 29.35 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.506 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -87.08 119.01 26.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.0 t -86.33 121.78 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.071 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.492 HG11 ' CZ ' ' A' ' 56' ' ' PHE . 20.7 t -107.94 142.2 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.9 mtt-85 -101.32 102.75 13.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.0 mt -62.83 105.99 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -92.53 -53.18 4.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.6 m -116.76 146.21 42.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.3 mtm-85 -107.42 -44.88 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.3 pt -70.14 147.79 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.82 142.4 11.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.506 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.77 -139.66 11.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -119.75 46.14 2.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.763 0.316 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 57.58 26.72 13.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 176.52 34.3 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.452 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.436 ' CZ3' ' HD3' ' A' ' 57' ' ' PRO . 24.3 m95 -137.05 153.76 50.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.8 0.334 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 26.9 m0 -134.73 162.34 32.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -111.26 113.09 25.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -132.82 -156.95 8.32 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.435 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -157.26 141.46 16.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.94 0.4 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.464 HG22 ' ND2' ' A' ' 50' ' ' ASN . 13.9 t -166.08 148.9 7.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.17 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.464 ' ND2' HG22 ' A' ' 49' ' ' THR . 17.0 p30 48.13 28.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.17 30.39 60.98 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.8 mtt-85 -128.4 126.96 41.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.3 mt -123.6 136.33 60.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 173.23 -158.51 28.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -100.66 119.53 38.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.492 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 29.7 p90 -127.37 144.38 50.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.65 0.738 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.436 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 53.9 Cg_endo -69.74 143.68 51.69 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.1 p -83.67 -22.22 32.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.2 t -68.18 -23.89 64.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -83.18 -18.76 38.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 m -117.85 164.96 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -128.77 134.28 48.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -82.99 105.27 13.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.4 ' OE2' ' CG1' ' A' ' 66' ' ' ILE . 9.4 pt-20 -108.92 145.98 34.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -99.18 59.77 0.82 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.532 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.44 HG22 ' N ' ' A' ' 67' ' ' GLN . 10.8 mm -93.85 137.13 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 111.123 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.44 ' N ' HG22 ' A' ' 66' ' ' ILE . 2.7 pp0? -96.06 163.03 13.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.963 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.8 t -101.39 -60.25 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 153.31 -94.28 0.14 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 94.45 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.3 p -112.55 156.9 21.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.8 t -43.01 133.2 3.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.457 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -95.15 98.52 10.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -66.61 -41.99 87.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.86 -40.66 2.51 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -160.23 122.24 3.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.39 . . . . 0.0 110.825 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -161.47 162.99 30.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.818 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.9 -168.13 19.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.1 61.68 5.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.9 p -134.62 153.82 51.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.814 0.34 . . . . 0.0 111.161 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.438 ' CB ' HG22 ' A' ' 61' ' ' VAL . . . -132.31 163.87 27.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.081 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.4 t -122.45 134.06 66.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 27' ' ' ARG . . . -65.61 115.79 6.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.459 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 4.7 mmp_? -91.12 -22.47 20.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.41 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 27.8 m-85 -150.13 145.0 26.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -61.2 143.17 56.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -152.78 127.28 9.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.51 125.1 46.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.13 134.49 57.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 70.8 mtp85 -73.69 -43.36 59.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -132.25 162.99 29.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.31 -20.92 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -70.95 -47.42 59.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 1.1 mp0 -70.1 163.62 25.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.0 tp -119.78 132.81 55.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.0 t -70.26 157.39 37.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.459 ' CD2' HG22 ' A' ' 32' ' ' VAL . 64.0 mt -142.8 135.46 27.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 12' ' ' ALA . 37.2 ttp180 -122.15 147.53 46.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -49.83 102.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.94 -34.85 4.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -46.41 117.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.2 t -91.35 111.08 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.519 HG11 ' CE1' ' A' ' 56' ' ' PHE . 7.6 t -96.68 145.68 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.405 ' N ' HG12 ' A' ' 32' ' ' VAL . 59.3 ttt180 -101.75 104.76 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.8 mt -61.46 101.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -82.76 -54.3 5.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -131.97 144.79 51.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.462 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 38.3 mtp180 -94.99 -42.15 8.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 pp -73.12 170.06 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.63 -98.94 0.6 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.25 -175.86 8.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -44.42 153.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.753 0.311 . . . . 0.0 110.847 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -51.88 104.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 130.52 -42.99 1.34 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.427 ' CZ3' ' HD3' ' A' ' 57' ' ' PRO . 67.6 m95 -66.54 130.54 43.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.745 0.307 . . . . 0.0 110.971 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.462 ' CD1' ' HA ' ' A' ' 37' ' ' ARG . 17.1 m0 -117.35 -176.66 3.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -133.0 117.73 17.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -138.57 -159.38 8.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.489 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -155.52 143.72 20.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.389 . . . . 0.0 110.844 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.0 t -168.92 148.82 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 48.83 31.8 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.61 29.44 71.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -126.88 124.9 40.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.755 0.312 . . . . 0.0 110.894 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.3 mt -118.0 152.06 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.64 -163.43 31.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.519 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -98.35 122.18 41.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.519 ' CE1' HG11 ' A' ' 32' ' ' VAL . 26.6 p90 -125.49 145.85 52.54 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.643 0.735 . . . . 0.0 110.838 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.427 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 53.6 Cg_endo -69.81 167.99 22.91 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.254 . . . . 0.0 112.307 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.421 ' HB3' ' CZ3' ' A' ' 45' ' ' TRP . 42.3 p -107.62 -21.29 12.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 82.1 p -72.08 -24.29 61.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -85.93 -19.88 29.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.438 HG22 ' CB ' ' A' ' 10' ' ' ALA . 4.8 m -118.88 163.3 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -117.06 129.13 55.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -74.94 107.51 7.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -58.76 163.28 3.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.59 160.41 10.45 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 38.4 pt -53.71 143.31 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -109.5 160.39 16.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 93.4 p -138.76 144.06 39.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.826 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 137.26 -158.46 24.37 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 123.25 9.92 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.332 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.8 t -83.26 -56.7 3.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -112.14 148.32 34.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.805 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 m 62.5 42.35 8.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.379 . . . . 0.0 110.901 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.8 p -105.77 41.95 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.73 -81.08 1.46 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -128.3 91.58 3.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 110.833 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -88.1 138.86 31.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.06 42.12 94.88 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -146.38 54.02 0.54 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.5 p -137.16 150.75 48.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 111.19 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.33 166.56 16.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.3 p -124.99 128.88 73.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.34 107.24 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.411 ' NE ' ' HA ' ' A' ' 13' ' ' ARG . 2.8 mmp_? -83.32 -5.68 59.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -152.75 156.0 38.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -75.31 117.26 16.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.43 ' CD2' HD11 ' A' ' 26' ' ' LEU . 46.8 t80 -125.97 140.22 52.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.73 142.07 47.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.28 97.27 4.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -48.58 -41.36 30.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -116.66 -175.01 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.416 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 20.1 ptt? -80.02 -35.29 37.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 21' ' ' MET . 12.8 ptm180 -69.9 -7.47 40.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -93.78 163.32 13.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.416 ' CD1' ' HB3' ' A' ' 52' ' ' ARG . 63.9 tp -119.8 119.45 33.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.967 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.2 m -71.53 137.32 48.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.43 HD11 ' CD2' ' A' ' 16' ' ' PHE . 2.8 mt -121.52 139.73 53.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.447 ' CZ ' ' HB3' ' A' ' 27' ' ' ARG . 17.8 ttp-105 -118.32 138.26 52.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -38.7 104.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.16 18.11 20.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -91.0 115.71 28.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 0.0 110.824 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.2 t -80.67 125.83 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.7 t -114.07 146.32 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.4 mtt85 -103.28 104.37 14.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 55.3 mt -64.01 100.98 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -81.42 -46.25 14.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -130.89 107.91 9.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.565 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 28.5 ttt180 -68.0 -28.27 67.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.5 mt -108.64 128.22 64.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -152.94 -127.95 1.28 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.72 -95.21 0.95 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.469 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.54 ' CB ' ' CD1' ' A' ' 44' ' ' TRP . 74.1 m-20 -38.15 149.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -85.24 45.75 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.914 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.97 31.49 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.54 ' CD1' ' CB ' ' A' ' 41' ' ' ASP . 33.4 m95 -128.97 159.27 36.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.741 0.305 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.565 ' CD1' ' HA ' ' A' ' 37' ' ' ARG . 24.2 m0 -141.27 160.59 39.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -107.32 116.22 31.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.98 -160.66 9.36 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -164.03 143.76 8.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.952 0.406 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.4 t -168.4 145.45 3.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.3 m120 53.93 32.62 15.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.49 36.48 77.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.416 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 31.7 mmt180 -133.81 119.01 18.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 110.878 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.4 mt -115.47 144.22 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.49 -154.64 25.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 91.9 m95 -100.69 130.52 46.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -130.55 144.77 54.69 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.667 0.746 . . . . 0.0 110.864 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 120.01 6.87 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.658 2.239 . . . . 0.0 112.376 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.3 p -74.36 -3.96 33.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.6 p -88.24 -34.55 17.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -78.28 -0.95 30.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.8 m -119.75 177.86 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -138.81 109.86 6.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -56.35 112.31 1.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -82.26 164.21 21.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 66' ' ' ILE . . . 147.62 125.94 1.6 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 65' ' ' GLY . 9.3 tt -36.56 154.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.754 0.312 . . . . 0.0 111.149 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -117.05 169.72 9.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -68.19 137.69 55.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -159.45 -159.04 9.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 2.77 3.22 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.313 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.5 m -67.33 137.26 55.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.8 m -90.1 -57.84 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.497 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -70.58 172.64 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 0.0 110.895 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -50.43 -55.54 15.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.81 95.67 1.63 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -149.77 108.51 3.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -108.13 104.71 14.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.78 105.63 0.11 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.536 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.89 105.49 0.2 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.496 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.1 p -142.85 137.91 29.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.764 0.316 . . . . 0.0 111.164 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.32 171.8 7.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 p -134.6 132.53 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.81 115.19 6.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.111 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -92.23 -12.58 32.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -148.57 147.76 29.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -71.49 133.05 45.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -140.06 136.29 33.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.01 123.52 47.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.87 124.53 23.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.411 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . 2.6 ptm85 -75.69 -44.99 39.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -108.24 165.12 11.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 29.7 ttm -61.23 -51.95 66.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -45.65 -42.54 11.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -60.55 166.76 2.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.411 ' CD1' ' HB3' ' A' ' 52' ' ' ARG . 43.3 tp -129.16 131.38 47.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.4 p -68.17 139.8 56.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.5 mt -120.57 127.31 52.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.5 ttm-85 -120.42 139.49 52.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -47.22 103.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.92 -34.87 4.54 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -51.55 108.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.426 HG11 ' N ' ' A' ' 32' ' ' VAL . 48.8 t -75.53 139.1 19.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.426 ' N ' HG11 ' A' ' 31' ' ' VAL . 5.8 t -129.22 145.35 35.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.445 ' HG2' ' CE1' ' A' ' 35' ' ' TYR . 45.8 ttt180 -108.94 109.21 20.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.7 mt -65.14 101.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.445 ' CE1' ' HG2' ' A' ' 33' ' ' ARG . 21.8 m-85 -81.61 -59.5 2.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.7 t -108.15 140.67 41.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -93.67 -36.04 12.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 pp -120.77 154.32 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 154.91 -51.5 0.46 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.01 -120.08 1.53 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' GLY . 6.3 t70 -79.16 46.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.772 0.32 . . . . 0.0 110.93 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 41' ' ' ASP . 2.6 tp-100 36.08 32.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -152.81 -53.04 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.568 ' CZ3' ' HD3' ' A' ' 57' ' ' PRO . 14.1 m95 -57.83 161.48 3.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.32 . . . . 0.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 40.9 m0 -123.39 153.01 40.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -110.54 120.45 42.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -131.94 -152.02 7.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -166.78 120.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 0.0 110.933 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.8 t -141.45 143.85 34.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 56.21 27.82 12.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.16 38.98 58.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.455 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.411 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 26.0 mmt-85 -135.81 122.5 20.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.907 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mp -105.01 136.98 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.14 172.42 38.01 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -87.01 129.13 35.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.809 0.338 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -132.8 152.01 79.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.604 0.716 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 53.5 Cg_endo -69.78 152.24 69.16 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.652 2.235 . . . . 0.0 112.364 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.3 p -93.67 -17.71 22.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -73.81 -41.32 62.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -66.28 -15.91 63.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 18.7 m -114.45 178.54 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -135.59 118.25 16.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -71.69 109.34 5.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -117.23 132.82 56.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -122.67 -58.97 0.2 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.8 pp -57.07 166.17 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.808 0.337 . . . . 0.0 111.091 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -125.81 154.69 42.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.7 m -154.03 135.88 14.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 159.51 -158.29 29.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.482 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 162.79 40.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.258 . . . . 0.0 112.353 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.0 t -143.52 125.9 15.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.2 m -112.41 103.57 11.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.831 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 t -113.35 132.8 55.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.918 0.39 . . . . 0.0 110.863 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.7 m -122.2 137.73 54.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.62 -177.59 42.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -108.97 130.82 55.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.891 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -103.1 -45.81 4.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.22 118.03 1.95 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -147.38 123.1 1.68 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.2 p -133.9 145.43 49.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 111.155 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.71 168.94 11.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.7 t -133.77 125.14 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.092 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.2 103.26 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.478 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 14.6 mmm180 -85.11 -0.35 54.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.478 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 42.3 m-85 -157.62 149.5 22.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -70.68 128.5 36.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -134.04 130.87 38.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.23 122.1 40.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.94 108.39 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -48.28 -53.35 17.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -122.65 170.12 10.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 29.3 mtt -56.19 -39.28 72.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -57.36 -48.76 78.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -54.6 -177.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.7 tp -136.64 121.24 18.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.1 m -68.88 132.01 46.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.3 mt -113.5 140.94 47.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -122.11 138.54 54.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -43.65 105.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.58 14.26 25.95 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -92.46 112.98 25.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.854 0.359 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 36.6 t -78.52 128.27 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.5 t -121.43 137.66 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -96.94 105.15 17.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.4 mt -58.19 110.7 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -99.42 -54.33 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.407 ' OG ' ' CB ' ' A' ' 46' ' ' LYS . 92.8 p -113.54 144.01 43.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.887 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.501 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 14.8 mmt85 -106.58 -40.81 5.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 pt -109.45 160.84 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 141.93 -42.34 1.15 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.06 -126.28 3.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -82.69 155.13 24.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.748 0.309 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -59.36 110.73 1.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.45 -59.33 0.5 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -47.18 142.58 3.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.74 0.305 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.513 ' CZ3' ' HB2' ' A' ' 58' ' ' SER . 19.6 m0 -135.72 168.26 19.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.935 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.407 ' CB ' ' OG ' ' A' ' 36' ' ' SER . 28.6 tttp -113.15 125.3 54.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.11 -152.52 5.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -160.6 141.0 11.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 110.91 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -163.13 154.43 17.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 44.77 30.35 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.23 34.49 64.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -133.52 123.39 25.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.787 0.327 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.423 HG21 ' N ' ' A' ' 54' ' ' GLY . 51.8 mt -110.65 135.15 50.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.423 ' N ' HG21 ' A' ' 53' ' ' ILE . . . 173.05 -175.19 46.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -86.56 124.24 32.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -126.2 150.39 69.62 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.655 0.741 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 158.21 57.72 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.326 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.513 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 82.7 p -105.32 -12.52 16.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.0 t -86.09 -30.42 22.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -80.71 -3.63 51.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.0 m -123.02 179.62 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -137.43 115.83 11.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -65.14 102.34 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -120.8 159.68 24.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 125.96 -91.93 0.4 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.2 pt -48.56 158.02 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.311 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -136.42 136.72 39.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.6 t -117.91 88.43 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.45 78.49 1.41 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 113.25 3.31 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.365 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.2 t 40.4 43.16 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.5 m -67.03 -54.37 22.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.832 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.457 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 t -126.26 88.83 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 110.823 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.4 m -116.47 145.73 43.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.26 83.53 1.72 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 m -63.63 132.37 50.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 110.833 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -51.12 -46.89 62.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.73 -139.93 14.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 127.91 43.26 0.24 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.6 p -133.09 156.22 47.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 111.128 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.11 163.07 16.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.056 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.5 t -121.94 122.37 66.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.44 103.4 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -80.76 -19.7 44.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -140.91 156.86 46.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -80.99 121.38 25.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -124.82 146.82 49.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.48 120.95 40.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.54 98.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -44.03 -40.18 4.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -131.34 162.6 29.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.7 mtp -52.25 -48.88 64.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -45.55 -41.79 10.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.48 172.42 9.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.9 tp -123.65 134.19 53.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.7 t -73.95 148.34 42.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.4 mt -135.26 130.67 35.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.3 ttp85 -118.48 137.88 52.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -42.12 107.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.28 11.53 33.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -90.07 108.9 20.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.2 t -76.34 122.25 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.178 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.9 t -112.37 143.75 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.3 ttt180 -104.71 104.01 13.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 86.0 mt -60.49 101.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -85.95 -53.73 4.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 m -117.44 128.67 55.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -97.09 -50.56 4.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.3 mt -76.52 110.33 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 163.18 -142.64 8.01 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 38.18 -158.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.05 59.81 3.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.712 0.291 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 53.7 50.22 17.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.2 -57.08 0.21 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.48 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -47.04 157.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.727 0.298 . . . . 0.0 110.918 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -129.95 172.71 11.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -127.25 114.12 17.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -124.45 -152.17 8.28 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -158.89 132.14 7.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.93 0.395 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.3 t -159.87 143.8 14.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 54.8 30.59 13.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.47 32.77 67.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -133.6 136.48 44.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.772 0.32 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.421 HG21 ' N ' ' A' ' 54' ' ' GLY . 5.0 mp -127.62 134.22 65.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.421 ' N ' HG21 ' A' ' 53' ' ' ILE . . . 177.33 -171.14 43.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -86.73 117.83 25.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.795 0.331 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -122.57 148.96 54.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.701 0.763 . . . . 0.0 110.84 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 147.25 62.71 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.73 2.287 . . . . 0.0 112.344 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.4 p -94.57 -10.85 30.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.892 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 61.4 p -84.58 -41.17 16.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.09 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -72.48 -3.51 24.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.1 m -119.24 165.75 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -115.15 116.09 27.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -79.7 96.81 6.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -50.48 159.06 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -179.31 -52.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 25.3 pt -66.81 166.18 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.762 0.315 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -145.53 140.93 27.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 59.8 p -73.14 155.05 40.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.06 67.74 1.33 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.517 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -42.19 3.6 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.704 2.27 . . . . 0.0 112.35 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 72' ' ' SER . 1.1 t -111.9 127.75 55.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 71' ' ' SER . 31.8 p 36.31 41.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.445 -179.947 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.4 m -136.97 174.7 10.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 t -133.51 164.59 26.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.59 -78.6 0.15 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 p -127.95 171.84 11.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.846 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -94.72 115.87 28.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.812 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.25 -98.14 0.89 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.72 65.82 1.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.6 p -134.39 155.5 50.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.321 . . . . 0.0 111.183 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.412 ' C ' HG21 ' A' ' 11' ' ' VAL . . . -122.07 171.69 8.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.412 HG21 ' C ' ' A' ' 10' ' ' ALA . 21.9 t -134.56 126.64 48.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.57 103.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.136 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.469 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 3.3 mmp_? -77.69 -26.45 50.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -136.88 161.19 36.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -83.99 118.82 24.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -126.88 134.34 50.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.03 116.05 31.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.055 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.2 108.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -54.82 -44.83 74.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.88 167.45 12.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.8 tpp -58.85 -55.05 40.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 86.4 mtt-85 -41.73 -43.39 2.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.73 173.21 2.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.6 tp -125.08 135.96 53.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.7 p -73.84 135.99 43.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.1 mt -119.6 127.93 53.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -120.24 135.48 54.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -42.18 111.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.39 -39.03 2.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.443 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -48.28 121.28 4.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.0 t -93.57 109.75 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.449 HG12 ' CZ ' ' A' ' 56' ' ' PHE . 5.5 t -93.69 143.15 12.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.113 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -102.89 103.28 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.2 mt -63.3 102.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -82.65 -59.01 2.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -121.58 131.47 54.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -93.1 -47.15 7.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.1 mt -93.6 129.64 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -176.93 -76.6 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.7 -134.01 6.8 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.432 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . 80.6 m-20 -50.27 135.1 22.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.737 0.303 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -50.02 147.86 3.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.3 -54.9 3.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.432 ' CD1' ' HB2' ' A' ' 41' ' ' ASP . 93.7 m95 -46.7 118.29 1.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.761 0.315 . . . . 0.0 110.91 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 38.8 m0 -109.07 168.34 9.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -124.33 111.39 15.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -128.93 -145.8 6.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.501 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -174.37 130.47 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 t -157.1 139.12 14.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.163 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 61.49 32.51 18.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.42 32.92 80.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -130.72 124.86 32.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.807 0.337 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 54' ' ' GLY . 23.0 mt -119.61 140.99 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.403 ' N ' HG21 ' A' ' 53' ' ' ILE . . . 176.12 -151.89 12.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 85.3 m95 -115.47 118.16 32.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.809 0.338 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.449 ' CZ ' HG12 ' A' ' 32' ' ' VAL . 27.1 p90 -126.4 144.04 48.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.648 0.737 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 171.88 13.7 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.352 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 87.9 p -104.04 -34.05 8.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.3 p -59.51 -18.42 40.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -93.83 -14.81 25.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.0 m -120.61 160.24 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.085 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -121.93 117.7 27.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -68.1 88.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -67.39 128.81 37.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -136.18 -120.84 2.02 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.555 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -45.13 152.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.092 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -124.89 133.21 53.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -81.37 164.54 22.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -173.33 -160.48 21.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 109.69 2.36 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.7 p -87.11 -43.92 11.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.5 p -69.02 154.08 42.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.478 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.4 p -45.7 102.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 p -83.41 42.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.75 56.26 17.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.526 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.7 p -168.02 146.94 4.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.866 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.9 p -127.64 164.69 21.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.95 82.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -129.11 46.66 1.06 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 79.1 p -123.92 169.82 11.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.8 0.333 . . . . 0.0 111.152 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -142.46 158.1 44.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 p -114.1 128.37 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.51 103.13 2.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.415 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 23.1 mmm180 -73.15 -17.02 61.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 26.5 m-85 -143.72 158.16 43.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.24 149.66 28.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 18' ' ' ALA . 20.3 t80 -140.38 153.33 46.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.91 106.56 11.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.427 ' HA ' ' CZ ' ' A' ' 16' ' ' PHE . . . -54.78 102.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 45.4 mmm-85 -56.97 -34.55 68.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -132.75 152.4 51.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.2 ttp -42.98 -47.54 5.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -45.58 -53.43 9.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -59.58 162.72 4.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 40.8 tp -119.66 127.5 52.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.9 p -71.86 138.7 48.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 69.0 mt -122.42 142.65 50.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.65 137.4 54.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -46.54 106.28 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.62 13.58 25.64 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -95.67 120.09 35.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.838 0.351 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.0 t -83.0 132.3 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.556 HG12 ' CZ ' ' A' ' 56' ' ' PHE . 40.5 t -119.7 137.32 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 tpp85 -97.55 101.56 13.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 55.3 mt -59.24 101.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -81.42 -57.57 3.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -125.0 150.86 46.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -102.45 -37.83 7.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.0 pt -82.83 166.08 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.54 -105.75 0.67 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.89 -81.34 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.473 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . 37.4 m-20 -126.18 141.45 51.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.726 0.298 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 41' ' ' ASP . 3.1 tp60 -36.37 -53.07 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.26 -52.06 14.98 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.473 ' CD1' ' HB2' ' A' ' 41' ' ' ASP . 26.6 m95 -51.07 143.56 10.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 0.0 110.921 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 24.3 m0 -131.76 169.83 15.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.473 ' HB2' ' CZ3' ' A' ' 55' ' ' TRP . 25.2 tttt -119.73 113.98 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.436 ' HA3' ' CG1' ' A' ' 32' ' ' VAL . . . -125.24 -155.23 8.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -158.04 138.84 13.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.933 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.0 t -169.55 134.2 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.201 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 65.05 37.45 6.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.76 34.88 90.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -134.32 132.96 40.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.805 0.336 . . . . 0.0 110.817 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.4 mp -125.74 122.77 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.149 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.94 -173.84 38.36 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.513 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.473 ' CZ3' ' HB2' ' A' ' 46' ' ' LYS . 71.7 m95 -89.76 120.02 30.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.931 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.556 ' CZ ' HG12 ' A' ' 32' ' ' VAL . 20.2 p90 -122.33 145.03 43.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.7 0.762 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 135.49 30.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.338 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.1 p -78.57 -13.11 59.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.5 p -75.8 -29.26 58.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -85.73 -2.0 57.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.7 m -128.89 162.31 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -126.39 125.68 42.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -66.8 118.35 10.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -70.17 152.26 44.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 67' ' ' GLN . . . -134.19 61.64 0.64 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.443 ' C ' ' O ' ' A' ' 65' ' ' GLY . 9.6 tt -34.84 -32.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.805 0.336 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 65' ' ' GLY . 8.4 tp60 -146.0 146.27 30.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.5 t -111.3 -37.03 5.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -124.0 -158.07 10.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -176.77 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 2.281 . . . . 0.0 112.337 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.5 t -159.78 161.26 34.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.3 p -164.65 144.8 7.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 t -114.96 -57.54 2.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.36 . . . . 0.0 110.832 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.4 p -49.91 163.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.22 -152.45 46.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m 52.52 44.38 30.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.37 . . . . 0.0 110.884 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.3 t -68.75 -48.23 64.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.833 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.5 117.95 0.79 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.53 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -145.05 47.46 0.75 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.48 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.1 p -135.63 142.87 45.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.739 0.304 . . . . 0.0 111.159 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.88 147.66 47.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -114.03 140.87 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.6 107.74 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -81.25 -24.09 37.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -138.15 144.35 40.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -65.02 120.13 12.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.477 ' HB2' ' CD2' ' A' ' 60' ' ' TYR . 8.3 t80 -130.22 120.72 24.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.12 113.23 24.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.16 129.13 20.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -74.36 -46.73 38.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -113.98 160.1 19.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 31.4 mtt -53.42 -46.68 69.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -48.83 -45.58 40.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.583 ' OE1' ' CZ3' ' A' ' 44' ' ' TRP . 54.1 mm-40 -62.86 165.76 6.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.9 tp -121.37 126.91 50.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 92.2 p -68.42 134.69 50.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 67.6 mt -113.87 131.51 56.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -120.43 133.98 55.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -40.85 103.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.48 -43.15 1.62 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -45.81 119.98 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.8 t -93.17 126.57 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.1 t -111.44 142.9 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -107.85 102.14 11.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.4 mt -54.98 107.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -88.61 -48.52 7.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -123.93 128.72 49.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.0 mtm180 -80.03 -52.22 8.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 39' ' ' GLY . 37.9 mm -106.45 134.65 47.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.412 ' N ' HG22 ' A' ' 38' ' ' ILE . . . -167.91 -83.29 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.16 -130.68 3.49 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.515 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -55.2 173.34 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.728 0.299 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -87.94 133.41 33.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.85 32.56 20.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.583 ' CZ3' ' OE1' ' A' ' 23' ' ' GLU . 62.0 m95 -140.05 137.9 34.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.721 0.296 . . . . 0.0 110.889 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.54 ' CZ3' ' HB2' ' A' ' 58' ' ' SER . 29.9 m0 -118.28 174.43 6.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.0 tttp -134.98 113.56 11.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -130.89 -146.34 5.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -157.84 131.15 7.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.942 0.401 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.4 t -153.09 128.34 9.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.105 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 61.84 35.72 16.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.92 33.61 80.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -131.87 123.18 26.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.335 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.59 139.71 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.6 -177.06 41.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.483 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 43.7 m95 -85.27 121.12 27.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.848 0.356 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -121.66 150.21 54.7 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.69 0.757 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 130.62 19.62 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.54 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 60.3 p -84.76 -3.59 58.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 t -93.32 -13.4 28.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.127 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.477 ' CD2' ' HB2' ' A' ' 16' ' ' PHE . 7.8 m-85 -100.26 -6.61 25.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.5 m -117.41 165.67 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -121.41 123.32 41.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.507 ' OE2' ' CH2' ' A' ' 45' ' ' TRP . 29.9 mt-10 -78.42 97.17 5.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -44.31 162.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.25 63.58 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.485 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.2 mm -81.63 131.92 32.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.764 0.316 . . . . 0.0 111.14 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -64.81 160.91 19.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.6 t -117.53 -63.13 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -153.07 82.66 0.17 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 123.79 10.44 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.5 p -133.84 164.03 28.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.3 m -60.48 110.4 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 m -127.27 150.53 49.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.945 0.402 . . . . 0.0 110.815 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.9 m -54.78 105.98 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.39 115.84 4.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.4 m -141.68 114.71 8.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.874 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -49.13 171.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.8 157.26 8.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.455 ' O ' ' CG2' ' A' ' 9' ' ' THR . . . 54.21 86.42 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 8' ' ' GLY . 56.6 p -160.49 148.89 16.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 0.0 111.105 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.06 138.0 51.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 88.4 t -100.92 134.19 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.13 101.06 0.66 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.054 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -78.82 -14.47 59.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -141.93 154.04 44.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.417 ' CG ' ' O ' ' A' ' 15' ' ' ASN . 2.2 p30 -83.2 111.69 19.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -119.35 137.09 53.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.0 119.41 38.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.25 97.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -43.97 -51.56 7.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -118.02 174.63 6.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 22' ' ' ARG . 4.2 ppp? -60.44 -45.17 94.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.44 ' N ' ' SD ' ' A' ' 21' ' ' MET . 25.8 mtm105 -49.55 -47.55 49.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -62.86 166.03 6.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.4 tp -120.46 128.63 53.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.7 m -68.2 123.86 21.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.9 mt -112.1 131.42 55.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -122.33 140.32 52.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -46.38 102.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 123.75 -36.52 2.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -53.07 125.15 16.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.811 0.338 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.6 t -98.86 110.4 26.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.7 t -90.37 135.48 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.087 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -96.76 102.35 14.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.4 mt -58.99 116.69 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -99.38 -55.74 2.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -123.2 137.04 54.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.416 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 68.5 mtt180 -89.02 -36.46 15.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.828 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 51.0 mt -92.0 119.81 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.456 ' C ' ' CZ3' ' A' ' 55' ' ' TRP . . . 139.24 149.31 5.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.0 -100.66 2.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -138.97 172.64 12.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.733 0.302 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -64.85 100.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.56 30.84 7.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.457 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.428 ' CH2' ' HD3' ' A' ' 57' ' ' PRO . 12.3 m95 -129.01 143.88 51.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.732 0.301 . . . . 0.0 110.943 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.416 ' CD1' ' HA ' ' A' ' 37' ' ' ARG . 24.1 m0 -122.35 166.01 15.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.5 tttp -116.82 118.81 33.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.12 -142.26 4.38 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 49' ' ' THR . 0.0 OUTLIER -173.25 140.51 0.86 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 0.0 110.869 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.473 ' N ' ' OE1' ' A' ' 48' ' ' GLU . 13.3 t -147.31 122.58 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 63.53 29.44 15.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.23 -1.42 88.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -93.4 121.49 34.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.459 ' CG2' ' N ' ' A' ' 54' ' ' GLY . 21.6 mt -111.66 159.11 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.459 ' N ' ' CG2' ' A' ' 53' ' ' ILE . . . 150.05 176.32 23.02 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.453 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.456 ' CZ3' ' C ' ' A' ' 39' ' ' GLY . 69.3 m95 -89.41 125.36 35.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.781 0.324 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -129.76 144.0 51.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.657 0.741 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.428 ' HD3' ' CH2' ' A' ' 44' ' ' TRP . 53.7 Cg_endo -69.76 130.91 20.16 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 90.2 p -65.8 -19.94 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.49 -30.94 69.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.444 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 28.7 m-85 -93.98 33.58 1.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.444 ' CG1' ' O ' ' A' ' 60' ' ' TYR . 27.5 m -159.64 158.33 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.143 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -121.73 119.35 31.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -70.27 107.98 3.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -48.82 147.06 2.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -178.11 -105.87 0.2 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.4 pp -40.95 156.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -116.85 85.41 2.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.3 m -42.81 127.15 3.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.24 -158.23 15.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 143.46 50.89 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.678 2.252 . . . . 0.0 112.356 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 89.4 p -95.5 158.05 15.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -132.52 179.21 6.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.462 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 m -88.23 140.86 29.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.839 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m 40.55 42.59 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.06 69.93 0.84 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.504 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -154.87 126.34 7.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.945 0.403 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -103.93 148.16 26.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.821 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.24 112.75 3.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.462 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 159.08 66.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.4 p -120.28 134.46 55.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.803 0.335 . . . . 0.0 111.108 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.5 154.1 30.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.413 HG22 ' CD ' ' A' ' 64' ' ' GLU . 88.1 t -115.32 113.15 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.72 110.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -82.14 -17.84 44.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -142.08 162.23 36.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -87.62 145.91 25.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -142.81 123.85 14.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -93.75 100.31 12.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -37.68 97.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.095 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -54.06 -41.76 68.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.35 176.98 4.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.0 mtm -68.18 -51.02 50.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.5 ptp85 -52.99 -47.05 68.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -50.89 160.11 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.447 ' CD1' ' O ' ' A' ' 52' ' ' ARG . 11.3 tp -119.53 121.51 39.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.0 p -71.19 135.61 47.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.7 mt -122.03 127.89 50.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -105.91 134.44 49.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -39.2 111.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.09 25.92 17.98 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -99.12 111.47 23.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.3 t -71.19 118.31 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.545 HG12 ' CE2' ' A' ' 56' ' ' PHE . 18.6 t -114.22 131.87 64.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -95.42 108.56 20.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.9 mt -64.2 109.32 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -91.78 -56.57 3.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -119.06 146.52 45.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -107.16 -45.64 4.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 49.8 mm -81.64 120.38 33.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 142.45 141.52 3.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.56 -162.75 54.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.16 154.33 4.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.769 0.318 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -56.51 136.38 54.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.57 -45.73 2.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.413 ' CZ3' ' HD3' ' A' ' 57' ' ' PRO . 17.3 m95 -45.56 147.35 0.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.785 0.326 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -134.35 171.08 14.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -115.41 111.03 20.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.49 -160.92 10.84 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.504 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -155.26 143.22 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.92 0.39 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.4 t -168.3 130.98 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.175 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 37.1 t30 63.31 31.9 15.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.16 35.7 70.84 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.447 ' O ' ' CD1' ' A' ' 24' ' ' LEU . 77.1 mtt180 -131.71 121.8 24.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.9 140.99 40.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.12 -167.22 38.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -90.46 128.42 36.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.796 0.331 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.545 ' CE2' HG12 ' A' ' 32' ' ' VAL . 12.3 p90 -134.79 143.99 48.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.653 0.739 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.413 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 54.0 Cg_endo -69.72 132.99 24.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.9 p -73.87 -29.64 62.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.96 -16.52 61.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -89.66 -19.56 24.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.1 m -118.74 167.3 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -126.93 136.77 52.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -87.28 92.23 9.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.413 ' CD ' HG22 ' A' ' 11' ' ' VAL . 20.5 mt-10 -46.18 170.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -99.74 113.18 4.64 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.461 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.1 mt -38.38 -41.57 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.843 0.354 . . . . 0.0 111.173 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -40.68 129.73 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.6 m -169.63 174.04 6.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.8 168.7 29.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -36.7 10.37 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.72 2.28 . . . . 0.0 112.339 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t 42.99 41.38 2.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.7 t -58.26 101.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 1' ' ' GLY . 15.8 p 35.07 45.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.956 0.408 . . . . 0.0 110.873 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.3 m -68.16 123.75 21.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.73 -132.25 10.93 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.437 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m 54.45 41.67 31.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.852 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.3 m -130.32 137.89 50.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.3 81.58 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.491 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.17 140.66 28.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.7 p -139.9 150.09 44.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.132 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.02 173.52 11.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.117 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 89.9 t -132.43 124.86 52.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.81 119.64 8.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.07 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.468 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 5.9 mmp_? -94.18 -11.93 29.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -153.65 142.19 20.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -64.77 127.87 33.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -131.58 115.18 15.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.76 108.37 20.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.42 126.43 27.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.08 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -81.21 -44.67 17.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -101.79 160.0 14.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.2 mtm -59.53 -47.96 83.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -45.56 -54.7 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -55.71 174.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.4 tp -136.13 126.69 26.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.3 p -69.99 136.58 50.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -120.63 140.17 51.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.9 tpp85 -121.38 135.79 55.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -44.49 112.31 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.86 -36.07 4.63 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -46.78 125.3 7.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.8 t -87.67 126.56 41.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.542 HG11 ' CE2' ' A' ' 56' ' ' PHE . 22.2 t -116.84 125.64 73.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.7 mtt-85 -89.2 105.48 17.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.7 mt -58.97 102.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -77.62 -57.58 3.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -126.02 138.69 53.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.817 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.415 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 16.3 mtm105 -99.56 -41.53 7.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 78.8 mt -72.69 121.45 23.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.116 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.17 152.28 6.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.9 -175.5 17.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -58.65 162.21 4.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.745 0.307 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -58.35 118.55 5.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.62 -49.26 0.88 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.421 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 37.4 m95 -50.15 141.14 11.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.755 0.312 . . . . 0.0 110.932 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.427 ' CH2' ' OE1' ' A' ' 63' ' ' GLU . 22.1 m0 -138.69 171.01 14.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -114.9 121.08 42.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.64 -150.53 5.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.534 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.42 ' OE1' ' C ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -172.17 144.07 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.906 0.384 . . . . 0.0 110.879 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.6 t -172.26 135.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 m120 67.34 29.79 7.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.57 31.61 67.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.5 mtt85 -131.22 131.66 44.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.0 mt -126.57 144.51 36.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.6 -156.27 28.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.445 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -102.22 124.14 47.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.8 0.333 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.542 ' CE2' HG11 ' A' ' 32' ' ' VAL . 23.6 p90 -126.92 144.02 48.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 133.51 25.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.725 2.283 . . . . 0.0 112.36 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.2 t -80.29 -21.24 42.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.8 t -73.67 -10.68 59.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -100.51 -8.45 23.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 m -130.01 156.15 42.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -116.01 148.67 39.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.427 ' OE1' ' CH2' ' A' ' 45' ' ' TRP . 28.8 mt-10 -101.13 104.41 15.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -101.02 149.53 23.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -99.91 -97.78 2.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.6 pt -68.81 165.08 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -74.57 -48.33 27.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.5 t -63.6 97.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.79 167.99 46.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.475 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -177.62 1.96 Allowed 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.712 2.275 . . . . 0.0 112.304 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.8 t -66.62 134.59 52.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.0 p -42.46 108.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.948 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 p -101.3 99.54 9.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.9 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t 55.82 41.8 29.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.78 135.88 49.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.0 p -108.05 100.85 10.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.349 . . . . 0.0 110.866 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.6 m -68.36 174.29 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.13 113.97 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.517 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -131.16 67.41 0.56 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.1 p -138.58 152.26 48.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 111.155 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.23 171.79 13.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.7 p -131.26 127.75 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.8 114.8 5.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -88.5 -19.73 26.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -142.04 141.04 32.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -65.13 136.73 57.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.509 ' HB2' ' CD2' ' A' ' 60' ' ' TYR . 6.1 t80 -137.74 128.72 27.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.6 116.63 31.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.03 123.34 16.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.35 -19.93 41.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -138.42 164.39 29.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.4 mtt -62.61 -36.55 83.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.417 ' HG3' ' CD ' ' A' ' 23' ' ' GLU . 12.9 ptp180 -62.15 -33.9 75.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.417 ' CD ' ' HG3' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -73.4 162.83 28.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.5 tp -123.97 128.5 49.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.7 m -69.67 147.05 51.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.1 mt -127.92 134.52 49.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.0 tpt85 -121.75 137.3 54.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -43.69 104.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.7 -39.2 2.69 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -45.48 117.56 1.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.348 . . . . 0.0 110.851 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.3 t -91.78 114.69 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.512 HG12 ' CE2' ' A' ' 56' ' ' PHE . 38.7 t -98.77 141.49 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -98.78 102.67 14.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.2 mt -57.15 118.72 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -107.16 -48.92 3.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 p -112.9 135.89 53.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.889 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -99.38 -38.91 8.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 pp -122.88 166.61 17.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 129.85 -44.87 1.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -96.21 -143.81 15.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.455 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.96 172.28 8.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -78.17 101.81 7.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.12 35.23 2.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.464 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.7 m95 -137.48 138.85 40.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.776 0.322 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 27.7 m0 -128.33 163.24 25.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -115.76 117.4 30.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.45 ' HA3' ' CG1' ' A' ' 32' ' ' VAL . . . -126.19 -156.9 9.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -158.88 117.14 2.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.952 0.406 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.2 t -144.61 151.5 39.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 34.6 t30 46.33 35.12 2.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.52 36.74 92.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.442 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -135.78 130.3 33.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.756 0.313 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.3 mt -122.97 141.99 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.39 -173.33 41.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -87.62 120.41 28.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.743 0.306 . . . . 0.0 110.924 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.512 ' CE2' HG12 ' A' ' 32' ' ' VAL . 23.5 p90 -123.0 144.65 43.7 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.619 0.723 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 119.42 6.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.1 p -64.71 -33.4 75.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.4 p -59.64 -15.63 20.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.166 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.509 ' CD2' ' HB2' ' A' ' 16' ' ' PHE . 8.1 m-85 -93.9 -19.57 20.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 m -117.43 176.79 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -142.88 135.24 27.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -76.61 94.51 3.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -40.81 147.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' GLN . . . -143.95 110.03 0.56 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.0 mm 38.83 28.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 111.164 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' GLY . 21.4 tt0 68.77 44.63 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' GLY . 19.9 t -71.91 165.57 23.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -168.29 -158.22 12.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -25.81 28.21 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.318 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 t -61.57 116.02 4.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 96.1 p -43.82 163.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.821 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 1' ' ' GLY . 83.1 p -36.97 139.92 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -129.15 170.02 14.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.68 -130.37 2.98 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -80.54 102.48 9.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.855 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -105.18 166.39 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.04 -125.69 2.89 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 148.89 52.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.3 p -119.08 146.1 45.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 0.0 111.128 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.54 153.72 50.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.9 p -121.15 133.98 66.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.083 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 26' ' ' LEU . . . -67.11 112.45 4.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.504 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 8.4 mmm180 -85.09 -9.79 57.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.504 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 24.3 m-85 -145.19 145.13 31.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -68.52 151.76 46.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.5 ' CZ ' ' HA ' ' A' ' 18' ' ' ALA . 3.3 t80 -154.15 123.93 6.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.84 96.24 10.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.093 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.5 ' HA ' ' CZ ' ' A' ' 16' ' ' PHE . . . -40.74 116.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.8 mmt-85 -59.35 -38.87 81.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -140.63 175.37 9.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.3 mtt -56.71 -45.98 81.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -48.64 -42.36 34.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -71.1 -177.62 1.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.401 ' O ' ' CE2' ' A' ' 16' ' ' PHE . 4.9 tp -143.61 123.61 13.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.4 m -73.19 133.89 44.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 3.2 mm? -110.68 143.48 41.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 29' ' ' GLY . 6.9 ttp85 -123.06 141.34 52.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -53.99 87.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' ARG . . . 135.44 -26.25 3.22 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -54.21 142.22 26.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 64.0 t -114.97 110.85 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.51 HG13 ' CE2' ' A' ' 56' ' ' PHE . 5.5 t -94.37 149.23 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.2 mtt-85 -110.2 107.08 16.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.8 mt -59.49 101.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -80.4 -56.53 4.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -123.43 127.8 48.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.3 mtm-85 -88.75 -34.01 17.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.4 mm -88.48 64.69 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -166.32 119.36 0.85 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.28 -168.05 22.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 42' ' ' GLN . 1.7 m-20 -78.23 72.52 4.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.742 0.306 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 41' ' ' ASP . 28.6 tp60 34.75 45.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 174.02 -45.75 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.401 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 25.4 m95 -59.8 159.72 8.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 110.923 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.401 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 32.7 m0 -136.32 169.08 18.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -122.29 120.97 35.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.07 -147.84 4.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -163.79 137.93 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.954 0.407 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.4 t -161.77 134.58 6.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 60.72 34.55 19.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.88 36.32 91.98 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.6 mtt-85 -135.95 122.96 21.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.407 HG21 ' N ' ' A' ' 54' ' ' GLY . 4.0 mp -114.97 142.02 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.407 ' N ' HG21 ' A' ' 53' ' ' ILE . . . 162.68 -175.9 39.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -85.17 120.13 26.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.814 0.34 . . . . 0.0 110.918 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.51 ' CE2' HG13 ' A' ' 32' ' ' VAL . 40.5 p90 -119.73 145.76 40.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.672 0.749 . . . . 0.0 110.837 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 119.29 6.26 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.5 p -66.43 -8.07 23.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.42 -11.21 56.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.169 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -102.0 -5.19 24.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.1 m -121.85 161.02 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 64' ' ' GLU . 3.7 tm-20 -121.46 119.11 31.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.96 82.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' GLU . 85.3 mt-10 -46.94 148.47 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.74 -48.93 0.21 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.5 pt -60.48 -16.46 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.732 0.301 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -76.61 126.82 31.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.7 m -98.46 172.14 7.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 140.3 146.35 4.81 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 140.62 42.95 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.362 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -51.3 96.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.8 t -72.97 163.34 28.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.473 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 t -40.87 158.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.858 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.4 p -135.38 138.21 43.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.04 49.6 73.72 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 t -160.06 154.53 23.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -173.95 146.4 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.39 76.5 1.24 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -158.52 49.43 0.42 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.446 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.3 p -138.71 148.99 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 0.0 111.182 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -119.11 161.7 19.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.85 130.63 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.74 102.88 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.433 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 3.8 mmp_? -81.16 -27.92 35.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -140.06 144.88 37.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 41.5 p-10 -63.55 127.15 30.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -137.13 115.46 11.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.27 123.47 31.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.31 115.59 4.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -66.58 -48.97 67.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.829 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -110.9 160.44 16.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.3 ptt? -57.79 -51.13 70.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -46.98 -34.82 5.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -69.38 177.69 2.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 63.9 tp -134.28 125.58 28.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.9 p -68.1 140.25 56.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 44.6 mt -122.48 130.2 52.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.5 tpp85 -121.06 136.33 55.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -39.77 113.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.24 -41.3 2.25 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -45.07 130.34 7.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 78.1 t -100.35 124.85 54.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.7 t -108.23 136.56 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 -94.37 101.66 13.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 83.5 mt -59.59 98.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -81.47 -50.32 9.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.2 m -115.65 152.29 33.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 -115.51 -31.93 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.9 mm -112.97 104.26 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 40' ' ' GLY . . . 169.1 -146.38 10.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.532 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' GLY . . . 34.29 -148.45 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.466 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.418 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . 86.0 m-20 -82.84 -176.94 6.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.729 0.299 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -66.02 99.55 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.04 32.45 8.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.418 ' CD1' ' HB2' ' A' ' 41' ' ' ASP . 24.9 m95 -122.21 150.48 42.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.762 0.315 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.566 ' CZ3' ' HB2' ' A' ' 58' ' ' SER . 23.7 m0 -128.84 169.06 15.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 55' ' ' TRP . 45.5 tttt -113.7 118.81 35.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -136.73 -152.39 6.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.528 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -172.14 143.47 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 110.914 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.7 t -167.98 132.46 1.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 70.56 38.21 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.66 31.44 80.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -132.08 121.75 24.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.749 0.309 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.0 mt -111.83 129.58 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -175.41 -162.37 26.53 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 46' ' ' LYS . 75.3 m95 -101.37 131.52 47.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.779 0.323 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -132.51 149.94 74.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.606 0.717 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -176.13 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.349 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 83.0 p -124.13 -23.01 4.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.0 t -76.9 -27.71 55.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -81.42 -15.77 54.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.8 m -119.16 165.34 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.442 ' OE2' ' C ' ' A' ' 63' ' ' GLU . 2.5 tm-20 -115.06 119.88 37.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.442 ' C ' ' OE2' ' A' ' 62' ' ' GLU . 2.4 mp0 -71.2 104.92 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -65.12 126.35 27.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.61 58.16 0.49 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.5 pt -77.61 140.54 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.761 0.315 . . . . 0.0 111.197 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -108.11 143.01 37.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 69' ' ' GLY . 15.9 m -113.9 112.86 24.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 68' ' ' SER . . . 33.94 -96.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.529 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.425 ' N ' ' O ' ' A' ' 68' ' ' SER . 53.4 Cg_endo -69.82 138.48 37.74 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.662 2.241 . . . . 0.0 112.309 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 t -88.69 114.13 24.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.8 t -113.67 113.25 24.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 179.96 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t 69.28 42.71 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.34 . . . . 0.0 110.862 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -65.66 -45.98 80.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.31 -108.79 0.41 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.437 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 m -126.43 104.42 8.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.87 0.367 . . . . 0.0 110.805 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 m -100.83 134.21 44.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.46 -174.56 16.83 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.77 92.99 0.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 48.0 p -147.31 141.15 25.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 111.149 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.28 151.42 50.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.076 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 p -116.39 134.58 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.76 111.5 4.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -90.55 -2.11 57.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -152.2 143.71 23.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -68.43 116.25 8.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -122.11 129.81 52.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.4 125.57 48.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.93 118.05 7.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.21 -29.45 57.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -133.91 159.85 39.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.0 ptp -53.85 -52.15 61.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -48.69 -33.76 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.526 ' OE2' ' CZ3' ' A' ' 44' ' ' TRP . 0.2 OUTLIER -71.96 169.3 16.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.8 tp -129.95 129.42 43.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.2 p -72.24 148.56 45.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.827 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.7 mt -135.23 131.88 37.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -117.11 146.56 43.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -49.14 110.39 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.56 -31.82 7.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -51.0 133.46 27.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.2 t -106.02 115.17 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.5 t -102.64 125.37 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.415 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 11.0 mpt_? -80.95 129.44 34.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.561 HD12 ' CE3' ' A' ' 45' ' ' TRP . 2.5 mm -81.49 111.12 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -95.38 -53.14 3.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 m -124.47 145.59 49.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.427 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 15.8 mtp180 -102.4 -44.06 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 pp -100.68 167.45 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 147.15 -58.03 0.49 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -113.38 -95.01 2.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 42' ' ' GLN . 10.5 t70 -85.7 166.51 16.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.725 0.298 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.445 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 77.3 mt-30 -86.03 34.49 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.39 -40.66 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.526 ' CZ3' ' OE2' ' A' ' 23' ' ' GLU . 34.4 m95 -64.73 153.44 39.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.902 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.561 ' CE3' HD12 ' A' ' 34' ' ' ILE . 33.3 m0 -132.45 -176.55 4.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -137.27 110.76 7.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 33' ' ' ARG . . . -129.42 -163.56 11.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.526 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -153.2 125.26 7.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.951 0.405 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 t -149.31 139.56 22.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.167 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.416 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 34.2 t30 60.09 28.71 18.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.57 32.93 64.11 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.531 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 65.2 mtt-85 -132.38 125.96 32.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.784 0.326 . . . . 0.0 110.893 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.4 mt -115.87 137.54 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.44 -174.79 44.44 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.508 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 63.1 m95 -87.45 132.53 33.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.819 0.342 . . . . 0.0 110.915 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -135.27 144.14 48.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.664 0.745 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 122.29 8.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.655 2.237 . . . . 0.0 112.396 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.8 p -70.76 -7.22 43.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 40.2 p -81.61 -31.27 32.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -85.66 2.69 44.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.3 m -127.7 165.5 26.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -119.6 119.52 34.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -72.35 128.76 36.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -101.54 34.95 2.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.42 ' C ' HD13 ' A' ' 66' ' ' ILE . . . -90.11 107.48 3.44 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.451 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.42 HD13 ' C ' ' A' ' 65' ' ' GLY . 3.5 mp 47.72 26.85 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.738 0.304 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -90.49 151.67 21.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.974 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.6 p -99.53 174.21 6.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.14 -158.37 14.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.446 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 143.23 50.16 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.643 2.229 . . . . 0.0 112.342 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.2 t -164.39 143.46 7.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.4 t -95.34 -62.37 1.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -148.68 145.87 27.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.871 0.367 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -49.99 142.6 9.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.81 -83.58 1.69 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t -166.84 142.9 4.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.386 . . . . 0.0 110.833 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.3 p -55.47 126.19 24.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.815 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.68 151.34 23.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 178.85 97.43 0.11 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.436 ' CG2' ' HG2' ' A' ' 33' ' ' ARG . 44.3 p -139.52 148.42 42.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 111.141 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.93 167.96 20.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.2 p -124.96 127.02 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.66 115.68 3.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.464 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 2.2 mmp_? -91.66 -14.76 29.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -149.22 140.12 22.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -67.4 137.37 55.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.512 ' CZ ' ' HA ' ' A' ' 18' ' ' ALA . 4.6 t80 -143.92 117.86 9.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -86.83 98.72 11.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.083 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 16' ' ' PHE . . . -34.55 108.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -48.75 -50.5 33.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -117.94 171.9 7.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 60.7 mtp -58.4 -45.08 89.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.1 mmp_? -48.25 -54.21 14.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.64 -176.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 55' ' ' TRP . 28.4 tp -138.95 134.13 32.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.7 m -72.13 130.29 40.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.6 mt -110.56 134.5 52.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.42 ' HB3' ' CG ' ' A' ' 30' ' ' ASP . 17.7 ttt85 -122.61 141.82 51.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -51.32 108.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.2 -28.22 9.95 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.42 ' CG ' ' HB3' ' A' ' 27' ' ' ARG . 7.6 m-20 -55.93 109.86 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.88 0.371 . . . . 0.0 110.828 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.4 t -83.06 115.78 26.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.478 HG13 ' CE2' ' A' ' 56' ' ' PHE . 7.3 t -102.16 141.59 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.436 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 32.6 mtm-85 -102.32 101.94 12.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.464 HD13 ' CZ3' ' A' ' 45' ' ' TRP . 32.1 mt -56.36 100.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -80.07 -44.24 20.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 m -125.6 106.35 9.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.403 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 25.4 ttt-85 -64.83 -37.2 86.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 39' ' ' GLY . 90.9 mt -134.08 140.99 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.402 ' N ' HG22 ' A' ' 38' ' ' ILE . . . 134.02 29.06 0.47 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.495 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.26 -113.74 1.14 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -93.51 -178.48 4.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -38.53 -50.73 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.7 75.07 0.22 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.522 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.423 ' CZ3' ' HD3' ' A' ' 57' ' ' PRO . 10.5 m95 -128.03 -177.41 4.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.731 0.301 . . . . 0.0 110.917 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.464 ' CZ3' HD13 ' A' ' 34' ' ' ILE . 10.0 m0 -140.93 160.15 40.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -127.79 111.52 13.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -134.42 -158.39 8.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -147.9 137.23 22.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.94 0.4 . . . . 0.0 110.928 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.1 t -161.35 131.93 5.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.0 t30 63.53 27.67 15.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.98 34.91 61.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -133.73 120.76 20.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.769 0.319 . . . . 0.0 110.921 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mp -113.17 127.22 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.48 -169.76 40.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.493 ' O ' ' N ' ' A' ' 24' ' ' LEU . 94.9 m95 -88.76 129.74 35.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.834 0.349 . . . . 0.0 110.957 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.478 ' CE2' HG13 ' A' ' 32' ' ' VAL . 28.1 p90 -131.15 143.95 51.5 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.661 0.743 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.423 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 54.0 Cg_endo -69.76 119.39 6.35 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.628 2.219 . . . . 0.0 112.334 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.459 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 80.8 p -67.63 -30.56 70.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.6 p -64.5 -13.58 52.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -94.72 -15.04 24.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.6 m -116.69 179.94 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -142.78 130.04 20.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -71.35 110.27 5.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -67.58 161.01 26.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -179.15 67.02 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.3 pt -59.56 172.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.781 0.324 . . . . 0.0 111.139 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -76.22 133.77 40.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 92.1 p -118.05 159.2 23.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.61 -94.93 0.66 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.42 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -13.88 35.33 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.293 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 p -40.92 137.46 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.5 p -116.5 126.78 53.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.949 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.3 m -120.34 141.63 49.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.378 . . . . 0.0 110.841 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.6 p -131.16 141.5 50.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.52 -56.48 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.462 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -165.38 156.24 13.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.357 . . . . 0.0 110.865 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.9 m -130.37 161.69 30.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.87 54.98 1.63 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -130.45 50.38 0.89 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.4 p -120.53 146.64 46.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.806 0.336 . . . . 0.0 111.141 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.91 175.2 7.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.3 p -131.47 128.86 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.97 115.73 7.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.059 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.565 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 24.1 mmt180 -91.39 -3.5 56.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.565 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 36.3 m-85 -153.12 145.18 23.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 15' ' ' ASN . 3.4 p30 -74.62 115.72 14.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.468 ' HB2' ' CD2' ' A' ' 60' ' ' TYR . 19.4 t80 -115.92 129.82 56.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.63 107.05 17.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.078 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.64 137.89 48.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -86.29 -40.47 15.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.62 170.02 10.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 31.2 mtm -61.56 -44.02 97.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -49.07 -40.0 29.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -71.84 175.37 5.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 55' ' ' TRP . 10.1 tp -135.57 125.78 26.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.6 p -69.52 154.71 41.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.7 mt -140.41 138.88 35.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -121.94 139.7 53.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -46.45 105.03 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.31 -35.97 4.01 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -47.81 122.18 4.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -93.75 117.85 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.6 t -101.91 143.89 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -102.71 103.84 14.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.8 mt -61.01 116.63 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -98.78 -55.45 2.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -114.58 145.12 42.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -98.54 -43.2 6.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.7 pt -107.84 162.97 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.094 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.95 -33.74 2.49 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.31 -153.46 15.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -63.21 175.12 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -76.62 93.83 3.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.02 39.1 0.98 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 38.4 m95 -139.92 144.7 37.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.752 0.31 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.471 ' CZ3' ' HB2' ' A' ' 58' ' ' SER . 33.5 m0 -129.03 170.41 13.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.439 ' HB2' ' CZ3' ' A' ' 55' ' ' TRP . 75.2 tttt -123.67 125.92 45.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.905 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.14 -155.3 6.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.433 ' HG3' ' CG1' ' A' ' 53' ' ' ILE . 18.8 tt0 -159.15 137.25 10.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.947 0.403 . . . . 0.0 110.902 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -161.58 138.03 8.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.4 t30 60.26 31.48 20.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.32 34.4 80.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.9 mtt85 -134.8 119.85 18.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.433 ' CG1' ' HG3' ' A' ' 48' ' ' GLU . 49.3 mt -110.08 141.05 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 167.78 -170.89 42.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.439 ' CZ3' ' HB2' ' A' ' 46' ' ' LYS . 73.1 m95 -91.52 152.07 20.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -161.08 144.67 9.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.646 0.736 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 121.52 8.2 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.731 2.287 . . . . 0.0 112.328 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.471 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 92.0 p -60.94 -23.76 65.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.8 p -64.45 -38.85 92.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.468 ' CD2' ' HB2' ' A' ' 16' ' ' PHE . 10.0 m-85 -66.28 -16.42 64.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 m -120.29 179.59 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -136.86 128.66 29.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -73.26 127.17 31.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -97.18 155.66 16.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -151.91 86.7 0.14 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' A' ' 67' ' ' GLN . 0.2 OUTLIER -39.06 -42.04 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.77 0.319 . . . . 0.0 111.125 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.48 ' N ' ' CG2' ' A' ' 66' ' ' ILE . 28.8 tt0 -142.47 134.46 27.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.2 p -119.35 124.11 45.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.2 -84.74 0.37 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.543 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 141.64 45.64 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.735 2.29 . . . . 0.0 112.339 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.2 t -91.98 105.14 17.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.4 t -110.41 138.5 46.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 m -116.47 -47.98 2.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.909 0.385 . . . . 0.0 110.849 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m 40.88 43.72 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.76 -158.35 12.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -79.31 84.78 5.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 m -61.15 114.59 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.1 154.09 25.27 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 39.92 64.07 1.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.53 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.7 p -124.3 146.98 48.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.773 0.32 . . . . 0.0 111.147 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.44 161.18 30.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 12' ' ' ALA . 7.7 p -120.98 136.89 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.167 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.436 ' N ' HG23 ' A' ' 11' ' ' VAL . . . -69.44 112.76 6.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.568 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 15.4 mmt180 -87.65 -7.66 57.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 47.0 m-85 -154.31 145.41 22.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.96 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -69.74 138.78 53.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CD1' ' N ' ' A' ' 17' ' ' ALA . 3.1 t80 -136.09 133.8 37.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.436 ' N ' ' CD1' ' A' ' 16' ' ' PHE . . . -101.24 99.51 9.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.8 121.62 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -64.81 -41.05 96.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -137.56 172.97 12.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.9 mmt -59.53 -46.68 88.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -43.08 -43.16 4.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -77.32 -179.95 6.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 55' ' ' TRP . 15.0 tp -137.28 123.06 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.5 p -68.01 149.09 50.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.435 HD13 ' CG1' ' A' ' 61' ' ' VAL . 89.7 mt -124.68 134.94 52.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.7 ttt85 -117.71 139.28 51.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -45.15 113.46 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.76 -36.25 4.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.53 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -46.46 117.8 1.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.873 0.368 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.4 t -92.1 109.53 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.55 HG12 ' CE2' ' A' ' 56' ' ' PHE . 3.3 t -93.64 140.57 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.3 mtm180 -101.86 103.22 13.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.2 mt -61.55 106.15 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -84.48 -56.3 3.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -123.52 145.76 48.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.401 ' HB3' ' NH1' ' A' ' 37' ' ' ARG . 9.0 mtp-105 -106.57 -38.91 6.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.3 pt -93.76 141.93 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 132.84 -39.22 1.77 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.39 -169.46 40.48 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.32 169.17 4.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.823 0.344 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -72.74 89.84 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.52 25.55 1.58 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -140.41 148.7 41.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.699 0.285 . . . . 0.0 110.96 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -128.59 177.66 6.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -130.8 107.47 9.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.81 -142.28 5.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -170.46 141.88 2.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -158.04 133.12 8.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 60.73 37.37 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.8 37.24 93.2 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -134.5 126.35 29.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.403 HG22 ' N ' ' A' ' 54' ' ' GLY . 5.2 mp -116.04 136.55 52.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.403 ' N ' HG22 ' A' ' 53' ' ' ILE . . . 171.47 179.94 42.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.423 ' O ' ' N ' ' A' ' 24' ' ' LEU . 57.5 m95 -85.8 129.51 34.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.773 0.321 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.55 ' CE2' HG12 ' A' ' 32' ' ' VAL . 15.9 p90 -133.81 151.68 77.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 122.1 8.78 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.718 2.279 . . . . 0.0 112.348 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.5 p -76.22 -3.61 37.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 p -90.85 -6.47 54.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -104.39 -6.91 20.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.435 ' CG1' HD13 ' A' ' 26' ' ' LEU . 11.1 m -117.91 169.34 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -124.22 123.59 40.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -69.44 98.99 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -97.17 149.56 21.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.57 -89.02 0.1 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -94.67 125.23 47.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 111.144 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -123.69 138.31 54.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.7 m -98.77 120.73 39.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -85.73 146.73 21.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 109.49 2.31 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.8 t -91.97 154.69 18.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.2 m -118.08 134.96 54.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.2 p -122.59 144.55 49.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.751 0.31 . . . . 0.0 111.143 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.496 ' HB1' ' HB ' ' A' ' 61' ' ' VAL . . . -123.27 145.89 48.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.079 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 11' ' ' VAL . 7.3 p -114.58 118.85 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.72 103.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.082 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -79.82 -5.02 54.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -146.4 136.88 23.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 -62.29 132.57 53.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -139.38 117.75 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.22 122.4 35.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.98 129.74 40.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -90.99 -42.44 10.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -97.34 140.31 31.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -22.21 4.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -74.73 -40.7 61.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -64.97 166.94 8.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.8 tp -119.62 129.02 54.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.6 m -68.3 136.32 53.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.587 HD21 HG21 ' A' ' 32' ' ' VAL . 11.8 mt -119.4 136.08 54.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.402 ' HB3' ' CG ' ' A' ' 30' ' ' ASP . 44.8 ttt180 -121.62 139.37 53.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -47.97 106.27 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.09 19.19 15.26 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.455 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.402 ' CG ' ' HB3' ' A' ' 27' ' ' ARG . 8.7 m-20 -101.88 112.66 25.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.842 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.8 t -73.87 143.56 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.587 HG21 HD21 ' A' ' 26' ' ' LEU . 3.2 t -137.01 130.98 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.44 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 2.4 mpt_? -85.01 145.87 27.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 79.7 mt -98.88 102.62 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -84.41 -57.18 3.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -124.57 132.81 53.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.806 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -84.37 -35.39 23.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.841 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.5 pt -132.31 145.98 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.41 -44.64 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.493 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -119.32 -83.0 0.81 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.517 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.3 141.61 44.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.309 . . . . 0.0 110.856 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.19 139.88 56.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.62 -57.78 1.91 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -57.1 142.92 40.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.476 ' CE3' ' HB2' ' A' ' 58' ' ' SER . 37.5 m0 -127.34 152.31 47.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.8 tttm -101.89 114.42 28.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.44 ' CA ' ' O ' ' A' ' 33' ' ' ARG . . . -129.44 -153.38 7.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.506 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -168.33 134.98 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.386 . . . . 0.0 110.931 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -164.29 145.93 8.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 57.96 27.61 14.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.37 31.09 68.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -129.36 137.85 51.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mp -128.02 138.97 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 176.42 -155.69 19.44 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.459 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -108.71 122.75 47.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -130.46 143.98 51.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 149.48 67.5 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.715 2.277 . . . . 0.0 112.347 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.476 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.3 t -94.21 -14.13 25.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.0 p -77.46 -24.48 50.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -85.18 -11.09 55.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.496 ' HB ' ' HB1' ' A' ' 10' ' ' ALA . 35.0 m -114.4 171.41 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -127.76 111.71 13.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -58.6 107.98 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 -179.917 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.1 p -131.52 140.71 49.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 111.076 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.57 159.44 27.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 p -121.49 131.42 73.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.01 110.19 5.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.08 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -82.8 -7.56 59.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -152.68 148.83 27.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -73.32 134.58 44.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 17' ' ' ALA . 14.4 t80 -122.93 153.59 39.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.426 ' N ' ' CD1' ' A' ' 16' ' ' PHE . . . -118.7 103.88 10.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.081 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.97 105.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.067 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -43.92 -39.47 4.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -152.59 170.61 19.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.3 tpp -39.52 -54.39 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -39.05 -58.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.16 167.32 5.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.456 HD23 ' CD1' ' A' ' 56' ' ' PHE . 4.1 tp -126.95 118.66 24.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.0 p -70.07 146.0 51.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 mt -127.28 143.61 51.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -119.49 134.22 55.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -39.79 103.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.48 7.97 29.35 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.506 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -87.08 119.01 26.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.0 t -86.33 121.78 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.071 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.684 HG11 ' CE1' ' A' ' 56' ' ' PHE . 20.7 t -107.94 142.2 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.9 mtt-85 -101.32 102.75 13.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.0 mt -62.83 105.99 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -92.53 -53.18 4.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.6 m -116.76 146.21 42.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.3 mtm-85 -107.42 -44.88 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.3 pt -70.14 147.79 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.82 142.4 11.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.506 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.77 -139.66 11.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -119.75 46.14 2.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.763 0.316 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 57.58 26.72 13.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 176.52 34.3 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.452 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.436 ' CZ3' ' HD3' ' A' ' 57' ' ' PRO . 24.3 m95 -137.05 153.76 50.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.8 0.334 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 26.9 m0 -134.73 162.34 32.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -111.26 113.09 25.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -132.82 -156.95 8.32 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.435 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -157.26 141.46 16.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.94 0.4 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.608 HG23 ' ND2' ' A' ' 50' ' ' ASN . 13.9 t -166.08 148.9 7.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.17 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.608 ' ND2' HG23 ' A' ' 49' ' ' THR . 17.0 p30 48.13 28.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.17 30.39 60.98 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.8 mtt-85 -128.4 126.96 41.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.3 mt -123.6 136.33 60.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 173.23 -158.51 28.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -100.66 119.53 38.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.684 ' CE1' HG11 ' A' ' 32' ' ' VAL . 29.7 p90 -127.37 144.38 50.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.65 0.738 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.436 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 53.9 Cg_endo -69.74 143.68 51.69 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.1 p -83.67 -22.22 32.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.2 t -68.18 -23.89 64.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -83.18 -18.76 38.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 m -117.85 164.96 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -128.77 134.28 48.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -82.99 105.27 13.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.917 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.9 p -134.62 153.82 51.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.814 0.34 . . . . 0.0 111.161 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.31 163.87 27.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.429 HG23 ' HG3' ' A' ' 64' ' ' GLU . 63.4 t -122.45 134.06 66.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' A' ' 27' ' ' ARG . . . -65.61 115.79 6.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.463 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 4.7 mmp_? -91.12 -22.47 20.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.41 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 27.8 m-85 -150.13 145.0 26.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.408 ' ND2' ' OE2' ' A' ' 28' ' ' GLU . 10.3 m-80 -61.2 143.17 56.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -152.78 127.28 9.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.51 125.1 46.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.13 134.49 57.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 70.8 mtp85 -73.69 -43.36 59.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -132.25 162.99 29.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.31 -20.92 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -70.95 -47.42 59.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 1.1 mp0 -70.1 163.62 25.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.407 ' CD1' ' HB3' ' A' ' 52' ' ' ARG . 17.0 tp -119.78 132.81 55.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.0 t -70.26 157.39 37.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' A' ' 56' ' ' PHE . 64.0 mt -142.8 135.46 27.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.663 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 37.2 ttp180 -122.15 147.53 46.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.408 ' OE2' ' ND2' ' A' ' 15' ' ' ASN . 17.5 mt-10 -49.83 102.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.94 -34.85 4.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -46.41 117.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.2 t -91.35 111.08 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.469 HG21 ' CD2' ' A' ' 26' ' ' LEU . 7.6 t -96.68 145.68 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -101.75 104.76 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.8 mt -61.46 101.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -82.76 -54.3 5.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -131.97 144.79 51.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.471 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 38.3 mtp180 -94.99 -42.15 8.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.401 HD12 ' C ' ' A' ' 38' ' ' ILE . 2.8 pp -73.12 170.06 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.63 -98.94 0.6 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.25 -175.86 8.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -44.42 153.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.753 0.311 . . . . 0.0 110.847 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -51.88 104.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 130.52 -42.99 1.34 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.419 ' CZ3' ' HD3' ' A' ' 57' ' ' PRO . 67.6 m95 -66.54 130.54 43.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.745 0.307 . . . . 0.0 110.971 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.471 ' CD1' ' HA ' ' A' ' 37' ' ' ARG . 17.1 m0 -117.35 -176.66 3.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -133.0 117.73 17.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -138.57 -159.38 8.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.489 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -155.52 143.72 20.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.389 . . . . 0.0 110.844 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.0 t -168.92 148.82 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 48.83 31.8 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.61 29.44 71.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 32.3 mmt180 -126.88 124.9 40.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.755 0.312 . . . . 0.0 110.894 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.3 mt -118.0 152.06 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.64 -163.43 31.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.519 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -98.35 122.18 41.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.518 ' HB2' HD11 ' A' ' 26' ' ' LEU . 26.6 p90 -125.49 145.85 52.54 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.643 0.735 . . . . 0.0 110.838 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.419 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 53.6 Cg_endo -69.81 167.99 22.91 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.254 . . . . 0.0 112.307 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.447 ' HB3' ' CZ3' ' A' ' 45' ' ' TRP . 42.3 p -107.62 -21.29 12.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 82.1 p -72.08 -24.29 61.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -85.93 -19.88 29.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.426 ' CG1' HD13 ' A' ' 26' ' ' LEU . 4.8 m -118.88 163.3 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -117.06 129.13 55.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -74.94 107.51 7.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.429 ' HG3' HG23 ' A' ' 11' ' ' VAL . 18.8 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.5 p -137.16 150.75 48.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 111.19 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.33 166.56 16.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.3 p -124.99 128.88 73.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.34 107.24 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.418 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 2.8 mmp_? -83.32 -5.68 59.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -152.75 156.0 38.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -75.31 117.26 16.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -125.97 140.22 52.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.73 142.07 47.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.28 97.27 4.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -48.58 -41.36 30.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -116.66 -175.01 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 20.1 ptt? -80.02 -35.29 37.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.427 ' N ' ' HG3' ' A' ' 21' ' ' MET . 12.8 ptm180 -69.9 -7.47 40.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -93.78 163.32 13.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' A' ' 52' ' ' ARG . 63.9 tp -119.8 119.45 33.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.967 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.2 m -71.53 137.32 48.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 mt -121.52 139.73 53.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 27' ' ' ARG . 17.8 ttp-105 -118.32 138.26 52.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -38.7 104.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.16 18.11 20.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -91.0 115.71 28.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 0.0 110.824 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.2 t -80.67 125.83 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.7 t -114.07 146.32 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.4 mtt85 -103.28 104.37 14.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 55.3 mt -64.01 100.98 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -81.42 -46.25 14.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -130.89 107.91 9.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.574 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 28.5 ttt180 -68.0 -28.27 67.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.5 mt -108.64 128.22 64.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -152.94 -127.95 1.28 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.72 -95.21 0.95 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.469 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.54 ' CB ' ' CD1' ' A' ' 44' ' ' TRP . 74.1 m-20 -38.15 149.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -85.24 45.75 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.914 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.97 31.49 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.54 ' CD1' ' CB ' ' A' ' 41' ' ' ASP . 33.4 m95 -128.97 159.27 36.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.741 0.305 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.574 ' CD1' ' HA ' ' A' ' 37' ' ' ARG . 24.2 m0 -141.27 160.59 39.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -107.32 116.22 31.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.98 -160.66 9.36 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.448 ' OE2' HD11 ' A' ' 53' ' ' ILE . 41.0 tt0 -164.03 143.76 8.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.952 0.406 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.4 t -168.4 145.45 3.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.3 m120 53.93 32.62 15.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.49 36.48 77.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.438 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 31.7 mmt180 -133.81 119.01 18.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 110.878 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.448 HD11 ' OE2' ' A' ' 48' ' ' GLU . 19.4 mt -115.47 144.22 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.49 -154.64 25.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 91.9 m95 -100.69 130.52 46.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -130.55 144.77 54.69 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.667 0.746 . . . . 0.0 110.864 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 120.01 6.87 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.658 2.239 . . . . 0.0 112.376 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.3 p -74.36 -3.96 33.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.6 p -88.24 -34.55 17.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -78.28 -0.95 30.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.8 m -119.75 177.86 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -138.81 109.86 6.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -56.35 112.31 1.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.944 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.1 p -142.85 137.91 29.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.764 0.316 . . . . 0.0 111.164 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.32 171.8 7.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 p -134.6 132.53 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 27' ' ' ARG . . . -66.81 115.19 6.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.111 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -92.23 -12.58 32.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -148.57 147.76 29.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -71.49 133.05 45.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -140.06 136.29 33.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.01 123.52 47.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.87 124.53 23.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . 2.6 ptm85 -75.69 -44.99 39.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -108.24 165.12 11.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 29.7 ttm -61.23 -51.95 66.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -45.65 -42.54 11.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -60.55 166.76 2.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.433 ' CD1' ' HB3' ' A' ' 52' ' ' ARG . 43.3 tp -129.16 131.38 47.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.4 p -68.17 139.8 56.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.5 mt -120.57 127.31 52.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.539 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 18.5 ttm-85 -120.42 139.49 52.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -47.22 103.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.92 -34.87 4.54 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -51.55 108.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.8 t -75.53 139.1 19.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.642 HG11 ' CE1' ' A' ' 56' ' ' PHE . 5.8 t -129.22 145.35 35.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.433 ' HG2' ' CE1' ' A' ' 35' ' ' TYR . 45.8 ttt180 -108.94 109.21 20.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.7 mt -65.14 101.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.433 ' CE1' ' HG2' ' A' ' 33' ' ' ARG . 21.8 m-85 -81.61 -59.5 2.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.7 t -108.15 140.67 41.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -93.67 -36.04 12.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.506 HD12 ' C ' ' A' ' 38' ' ' ILE . 2.6 pp -120.77 154.32 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 154.91 -51.5 0.46 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.01 -120.08 1.53 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' GLY . 6.3 t70 -79.16 46.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.772 0.32 . . . . 0.0 110.93 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 41' ' ' ASP . 2.6 tp-100 36.08 32.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -152.81 -53.04 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.559 ' CZ3' ' HD3' ' A' ' 57' ' ' PRO . 14.1 m95 -57.83 161.48 3.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.32 . . . . 0.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 40.9 m0 -123.39 153.01 40.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -110.54 120.45 42.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -131.94 -152.02 7.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -166.78 120.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 0.0 110.933 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.424 HG22 HD21 ' A' ' 24' ' ' LEU . 13.8 t -141.45 143.85 34.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 56.21 27.82 12.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.16 38.98 58.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.455 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 26.0 mmt-85 -135.81 122.5 20.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.907 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mp -105.01 136.98 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.14 172.42 38.01 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -87.01 129.13 35.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.809 0.338 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.642 ' CE1' HG11 ' A' ' 32' ' ' VAL . 36.1 p90 -132.8 152.01 79.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.604 0.716 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.559 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 53.5 Cg_endo -69.78 152.24 69.16 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.652 2.235 . . . . 0.0 112.364 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.3 p -93.67 -17.71 22.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -73.81 -41.32 62.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -66.28 -15.91 63.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 18.7 m -114.45 178.54 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -135.59 118.25 16.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -71.69 109.34 5.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.2 p -133.9 145.43 49.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 111.155 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.71 168.94 11.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.7 t -133.77 125.14 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.092 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.2 103.26 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.478 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 14.6 mmm180 -85.11 -0.35 54.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.478 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 42.3 m-85 -157.62 149.5 22.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -70.68 128.5 36.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -134.04 130.87 38.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.23 122.1 40.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.415 ' HB2' ' N ' ' A' ' 25' ' ' SER . . . -54.94 108.39 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.127 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -48.28 -53.35 17.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -122.65 170.12 10.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 29.3 mtt -56.19 -39.28 72.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -57.36 -48.76 78.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -54.6 -177.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.7 tp -136.64 121.24 18.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.415 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 37.1 m -68.88 132.01 46.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 56' ' ' PHE . 38.3 mt -113.5 140.94 47.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.407 ' HB3' ' CG ' ' A' ' 30' ' ' ASP . 9.3 tpt180 -122.11 138.54 54.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -43.65 105.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.58 14.26 25.95 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.407 ' CG ' ' HB3' ' A' ' 27' ' ' ARG . 13.5 m-20 -92.46 112.98 25.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.854 0.359 . . . . 0.0 110.858 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 36.6 t -78.52 128.27 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.452 HG11 ' CE1' ' A' ' 56' ' ' PHE . 22.5 t -121.43 137.66 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -96.94 105.15 17.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.4 mt -58.19 110.7 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -99.42 -54.33 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.407 ' OG ' ' CB ' ' A' ' 46' ' ' LYS . 92.8 p -113.54 144.01 43.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.887 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.512 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 14.8 mmt85 -106.58 -40.81 5.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 pt -109.45 160.84 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 141.93 -42.34 1.15 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.06 -126.28 3.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -82.69 155.13 24.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.748 0.309 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -59.36 110.73 1.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.45 -59.33 0.5 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -47.18 142.58 3.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.74 0.305 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' A' ' 58' ' ' SER . 19.6 m0 -135.72 168.26 19.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.935 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.407 ' CB ' ' OG ' ' A' ' 36' ' ' SER . 28.6 tttp -113.15 125.3 54.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.11 -152.52 5.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -160.6 141.0 11.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 110.91 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -163.13 154.43 17.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 44.77 30.35 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.23 34.49 64.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -133.52 123.39 25.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.787 0.327 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.8 mt -110.65 135.15 50.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 173.05 -175.19 46.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -86.56 124.24 32.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.452 ' CE1' HG11 ' A' ' 32' ' ' VAL . 28.2 p90 -126.2 150.39 69.62 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.655 0.741 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 158.21 57.72 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.326 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.537 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 82.7 p -105.32 -12.52 16.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.0 t -86.09 -30.42 22.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -80.71 -3.63 51.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.0 m -123.02 179.62 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -137.43 115.83 11.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -65.14 102.34 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.911 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 33' ' ' ARG . 72.6 p -133.09 156.22 47.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 111.128 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.11 163.07 16.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.056 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.5 t -121.94 122.37 66.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.44 103.4 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 4.4 mmp_? -80.76 -19.7 44.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -140.91 156.86 46.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -80.99 121.38 25.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -124.82 146.82 49.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.48 120.95 40.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.54 98.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -44.03 -40.18 4.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -131.34 162.6 29.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.7 mtp -52.25 -48.88 64.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -45.55 -41.79 10.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.48 172.42 9.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.9 tp -123.65 134.19 53.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.485 ' O ' HD23 ' A' ' 26' ' ' LEU . 24.7 t -73.95 148.34 42.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.529 HD11 ' HB2' ' A' ' 56' ' ' PHE . 83.4 mt -135.26 130.67 35.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.3 ttp85 -118.48 137.88 52.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -42.12 107.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.28 11.53 33.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -90.07 108.9 20.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.2 t -76.34 122.25 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.178 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.9 t -112.37 143.75 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.403 ' HA ' HG22 ' A' ' 9' ' ' THR . 23.3 ttt180 -104.71 104.01 13.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 86.0 mt -60.49 101.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -85.95 -53.73 4.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 m -117.44 128.67 55.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -97.09 -50.56 4.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.3 mt -76.52 110.33 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 163.18 -142.64 8.01 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 38.18 -158.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.05 59.81 3.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.712 0.291 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 53.7 50.22 17.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.2 -57.08 0.21 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.48 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -47.04 157.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.727 0.298 . . . . 0.0 110.918 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -129.95 172.71 11.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -127.25 114.12 17.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -124.45 -152.17 8.28 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -158.89 132.14 7.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.93 0.395 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.3 t -159.87 143.8 14.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 54.8 30.59 13.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.47 32.77 67.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -133.6 136.48 44.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.772 0.32 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.0 mp -127.62 134.22 65.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.118 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 177.33 -171.14 43.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -86.73 117.83 25.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.795 0.331 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.529 ' HB2' HD11 ' A' ' 26' ' ' LEU . 20.2 p90 -122.57 148.96 54.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.701 0.763 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 147.25 62.71 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.73 2.287 . . . . 0.0 112.344 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.412 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 92.4 p -94.57 -10.85 30.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.892 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 61.4 p -84.58 -41.17 16.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.09 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -72.48 -3.51 24.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.412 ' CG2' ' HA ' ' A' ' 58' ' ' SER . 16.1 m -119.24 165.75 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -115.15 116.09 27.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -79.7 96.81 6.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.902 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.6 p -134.39 155.5 50.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.321 . . . . 0.0 111.183 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.07 171.69 8.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.9 t -134.56 126.64 48.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 27' ' ' ARG . . . -58.57 103.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.473 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 3.3 mmp_? -77.69 -26.45 50.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -136.88 161.19 36.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -83.99 118.82 24.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -126.88 134.34 50.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.03 116.05 31.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.055 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.2 108.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -54.82 -44.83 74.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.88 167.45 12.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.8 tpp -58.85 -55.05 40.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 86.4 mtt-85 -41.73 -43.39 2.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.73 173.21 2.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.6 tp -125.08 135.96 53.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.7 p -73.84 135.99 43.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.4 HD21 HG21 ' A' ' 32' ' ' VAL . 87.1 mt -119.6 127.93 53.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.401 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 25.6 ttt180 -120.24 135.48 54.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -42.18 111.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.39 -39.03 2.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.443 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -48.28 121.28 4.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.0 t -93.57 109.75 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.678 HG11 ' CE1' ' A' ' 56' ' ' PHE . 5.5 t -93.69 143.15 12.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.113 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -102.89 103.28 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.2 mt -63.3 102.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -82.65 -59.01 2.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -121.58 131.47 54.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -93.1 -47.15 7.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.1 mt -93.6 129.64 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -176.93 -76.6 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.7 -134.01 6.8 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.456 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . 80.6 m-20 -50.27 135.1 22.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.737 0.303 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -50.02 147.86 3.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.3 -54.9 3.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.456 ' CD1' ' HB2' ' A' ' 41' ' ' ASP . 93.7 m95 -46.7 118.29 1.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.761 0.315 . . . . 0.0 110.91 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 38.8 m0 -109.07 168.34 9.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -124.33 111.39 15.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -128.93 -145.8 6.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.501 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -174.37 130.47 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 t -157.1 139.12 14.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.163 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 61.49 32.51 18.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.42 32.92 80.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -130.72 124.86 32.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.807 0.337 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.0 mt -119.61 140.99 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 176.12 -151.89 12.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 85.3 m95 -115.47 118.16 32.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.809 0.338 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.678 ' CE1' HG11 ' A' ' 32' ' ' VAL . 27.1 p90 -126.4 144.04 48.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.648 0.737 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 171.88 13.7 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.352 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.598 ' HA ' HG22 ' A' ' 61' ' ' VAL . 87.9 p -104.04 -34.05 8.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.3 p -59.51 -18.42 40.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -93.83 -14.81 25.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.598 HG22 ' HA ' ' A' ' 58' ' ' SER . 34.0 m -120.61 160.24 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -121.93 117.7 27.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -68.1 88.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.487 HG22 ' HA ' ' A' ' 33' ' ' ARG . 79.1 p -123.92 169.82 11.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.8 0.333 . . . . 0.0 111.152 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -142.46 158.1 44.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 p -114.1 128.37 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.51 103.13 2.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.415 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 23.1 mmm180 -73.15 -17.02 61.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 26.5 m-85 -143.72 158.16 43.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.24 149.66 28.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 18' ' ' ALA . 20.3 t80 -140.38 153.33 46.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.91 106.56 11.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 16' ' ' PHE . . . -54.78 102.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 45.4 mmm-85 -56.97 -34.55 68.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -132.75 152.4 51.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.2 ttp -42.98 -47.54 5.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -45.58 -53.43 9.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -59.58 162.72 4.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.409 ' CD1' ' HB3' ' A' ' 52' ' ' ARG . 40.8 tp -119.66 127.5 52.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.9 p -71.86 138.7 48.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.686 HD11 ' HB2' ' A' ' 56' ' ' PHE . 69.0 mt -122.42 142.65 50.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.4 ' HB3' ' CG ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -122.65 137.4 54.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -46.54 106.28 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.62 13.58 25.64 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.4 ' CG ' ' HB3' ' A' ' 27' ' ' ARG . 40.2 m-20 -95.67 120.09 35.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.838 0.351 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.0 t -83.0 132.3 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.462 HG11 ' CE1' ' A' ' 56' ' ' PHE . 40.5 t -119.7 137.32 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.487 ' HA ' HG22 ' A' ' 9' ' ' THR . 11.1 tpp85 -97.55 101.56 13.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 55.3 mt -59.24 101.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -81.42 -57.57 3.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -125.0 150.86 46.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -102.45 -37.83 7.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.0 pt -82.83 166.08 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.54 -105.75 0.67 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.89 -81.34 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.482 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . 37.4 m-20 -126.18 141.45 51.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.726 0.298 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 41' ' ' ASP . 3.1 tp60 -36.37 -53.07 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.26 -52.06 14.98 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.482 ' CD1' ' HB2' ' A' ' 41' ' ' ASP . 26.6 m95 -51.07 143.56 10.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 0.0 110.921 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 24.3 m0 -131.76 169.83 15.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.478 ' HB2' ' CZ3' ' A' ' 55' ' ' TRP . 25.2 tttt -119.73 113.98 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.438 ' HA3' HG12 ' A' ' 32' ' ' VAL . . . -125.24 -155.23 8.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -158.04 138.84 13.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.933 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.0 t -169.55 134.2 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.201 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 65.05 37.45 6.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.76 34.88 90.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.409 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 41.3 mtp180 -134.32 132.96 40.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.805 0.336 . . . . 0.0 110.817 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.4 mp -125.74 122.77 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.149 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.94 -173.84 38.36 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.513 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.478 ' CZ3' ' HB2' ' A' ' 46' ' ' LYS . 71.7 m95 -89.76 120.02 30.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.931 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.686 ' HB2' HD11 ' A' ' 26' ' ' LEU . 20.2 p90 -122.33 145.03 43.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.7 0.762 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 135.49 30.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.338 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.54 ' HA ' HG22 ' A' ' 61' ' ' VAL . 67.1 p -78.57 -13.11 59.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.5 p -75.8 -29.26 58.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -85.73 -2.0 57.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 58' ' ' SER . 11.7 m -128.89 162.31 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -126.39 125.68 42.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -66.8 118.35 10.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.1 p -135.63 142.87 45.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.739 0.304 . . . . 0.0 111.159 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.88 147.66 47.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -114.03 140.87 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.585 ' HA ' HG12 ' A' ' 61' ' ' VAL . . . -67.6 107.74 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -81.25 -24.09 37.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -138.15 144.35 40.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -65.02 120.13 12.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.495 ' HB2' ' CD2' ' A' ' 60' ' ' TYR . 8.3 t80 -130.22 120.72 24.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.12 113.23 24.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.485 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -50.16 129.13 20.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -74.36 -46.73 38.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -113.98 160.1 19.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 31.4 mtt -53.42 -46.68 69.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -48.83 -45.58 40.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.583 ' OE1' ' CZ3' ' A' ' 44' ' ' TRP . 54.1 mm-40 -62.86 165.76 6.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.44 HD21 HG22 ' A' ' 49' ' ' THR . 22.9 tp -121.37 126.91 50.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 92.2 p -68.42 134.69 50.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.402 HD11 ' HB2' ' A' ' 56' ' ' PHE . 67.6 mt -113.87 131.51 56.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -120.43 133.98 55.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -40.85 103.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.48 -43.15 1.62 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -45.81 119.98 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.8 t -93.17 126.57 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.408 HG12 ' HA3' ' A' ' 47' ' ' GLY . 4.1 t -111.44 142.9 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -107.85 102.14 11.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.4 mt -54.98 107.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -88.61 -48.52 7.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -123.93 128.72 49.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.0 mtm180 -80.03 -52.22 8.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 37.9 mm -106.45 134.65 47.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -167.91 -83.29 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.16 -130.68 3.49 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.515 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -55.2 173.34 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.728 0.299 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -87.94 133.41 33.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.85 32.56 20.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.583 ' CZ3' ' OE1' ' A' ' 23' ' ' GLU . 62.0 m95 -140.05 137.9 34.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.721 0.296 . . . . 0.0 110.889 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.563 ' CZ3' ' HB2' ' A' ' 58' ' ' SER . 29.9 m0 -118.28 174.43 6.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.0 tttp -134.98 113.56 11.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.408 ' HA3' HG12 ' A' ' 32' ' ' VAL . . . -130.89 -146.34 5.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -157.84 131.15 7.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.942 0.401 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.44 HG22 HD21 ' A' ' 24' ' ' LEU . 14.4 t -153.09 128.34 9.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.105 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 61.84 35.72 16.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.92 33.61 80.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -131.87 123.18 26.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.335 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.59 139.71 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.6 -177.06 41.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.483 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 43.7 m95 -85.27 121.12 27.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.848 0.356 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.402 ' HB2' HD11 ' A' ' 26' ' ' LEU . 8.7 p90 -121.66 150.21 54.7 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.69 0.757 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 130.62 19.62 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.563 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 60.3 p -84.76 -3.59 58.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.687 HG23 ' HD1' ' A' ' 60' ' ' TYR . 1.9 t -93.32 -13.4 28.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.127 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.687 ' HD1' HG23 ' A' ' 59' ' ' THR . 7.8 m-85 -100.26 -6.61 25.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.585 HG12 ' HA ' ' A' ' 12' ' ' ALA . 28.5 m -117.41 165.67 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -121.41 123.32 41.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.507 ' OE2' ' CH2' ' A' ' 45' ' ' TRP . 29.9 mt-10 -78.42 97.17 5.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.888 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.507 ' O ' HG23 ' A' ' 9' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 8' ' ' GLY . 56.6 p -160.49 148.89 16.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 0.0 111.105 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.511 ' HB1' ' HB ' ' A' ' 61' ' ' VAL . . . -129.06 138.0 51.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.804 HG22 HG22 ' A' ' 31' ' ' VAL . 88.4 t -100.92 134.19 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 27' ' ' ARG . . . -66.13 101.06 0.66 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.054 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -78.82 -14.47 59.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -141.93 154.04 44.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.417 ' CG ' ' O ' ' A' ' 15' ' ' ASN . 3.7 p-10 -83.2 111.69 19.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -119.35 137.09 53.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.0 119.41 38.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.25 97.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -43.97 -51.56 7.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -118.02 174.63 6.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 22' ' ' ARG . 4.2 ppp? -60.44 -45.17 94.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 22' ' ' ARG . 25.8 mtm105 -49.55 -47.55 49.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -62.86 166.03 6.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.4 tp -120.46 128.63 53.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.7 m -68.2 123.86 21.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.841 HD11 ' HB2' ' A' ' 56' ' ' PHE . 65.9 mt -112.1 131.42 55.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.436 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 12.1 tpp180 -122.33 140.32 52.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -46.38 102.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 123.75 -36.52 2.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -53.07 125.15 16.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.811 0.338 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.804 HG22 HG22 ' A' ' 11' ' ' VAL . 98.6 t -98.86 110.4 26.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.626 HG11 ' CE1' ' A' ' 56' ' ' PHE . 2.7 t -90.37 135.48 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.087 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -96.76 102.35 14.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.4 mt -58.99 116.69 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -99.38 -55.74 2.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -123.2 137.04 54.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.426 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 68.5 mtt180 -89.02 -36.46 15.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.828 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 51.0 mt -92.0 119.81 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.456 ' C ' ' CZ3' ' A' ' 55' ' ' TRP . . . 139.24 149.31 5.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.0 -100.66 2.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -138.97 172.64 12.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.733 0.302 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -64.85 100.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.56 30.84 7.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.457 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.42 ' CH2' ' HD3' ' A' ' 57' ' ' PRO . 12.3 m95 -129.01 143.88 51.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.732 0.301 . . . . 0.0 110.943 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.426 ' CD1' ' HA ' ' A' ' 37' ' ' ARG . 24.1 m0 -122.35 166.01 15.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HB2' ' CZ3' ' A' ' 55' ' ' TRP . 25.5 tttp -116.82 118.81 33.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.12 -142.26 4.38 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 49' ' ' THR . 0.0 OUTLIER -173.25 140.51 0.86 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 0.0 110.869 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 49' ' ' THR . 13.3 t -147.31 122.58 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 63.53 29.44 15.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.23 -1.42 88.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -93.4 121.49 34.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.533 HG22 ' N ' ' A' ' 54' ' ' GLY . 21.6 mt -111.66 159.11 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.533 ' N ' HG22 ' A' ' 53' ' ' ILE . . . 150.05 176.32 23.02 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.453 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.456 ' CZ3' ' C ' ' A' ' 39' ' ' GLY . 69.3 m95 -89.41 125.36 35.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.781 0.324 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.841 ' HB2' HD11 ' A' ' 26' ' ' LEU . 10.4 p90 -129.76 144.0 51.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.657 0.741 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.42 ' HD3' ' CH2' ' A' ' 44' ' ' TRP . 53.7 Cg_endo -69.76 130.91 20.16 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 90.2 p -65.8 -19.94 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.49 -30.94 69.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.491 ' O ' HG13 ' A' ' 61' ' ' VAL . 28.7 m-85 -93.98 33.58 1.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.511 ' HB ' ' HB1' ' A' ' 10' ' ' ALA . 27.5 m -159.64 158.33 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.143 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -121.73 119.35 31.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -70.27 107.98 3.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.914 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.4 p -120.28 134.46 55.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.803 0.335 . . . . 0.0 111.108 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.5 154.1 30.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 88.1 t -115.32 113.15 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.72 110.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -82.14 -17.84 44.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -142.08 162.23 36.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -87.62 145.91 25.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -142.81 123.85 14.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -93.75 100.31 12.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -37.68 97.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.095 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -54.06 -41.76 68.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.35 176.98 4.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.0 mtm -68.18 -51.02 50.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.5 ptp85 -52.99 -47.05 68.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -50.89 160.11 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.447 ' CD1' ' O ' ' A' ' 52' ' ' ARG . 11.3 tp -119.53 121.51 39.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.0 p -71.19 135.61 47.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.626 HD11 ' HB2' ' A' ' 56' ' ' PHE . 32.7 mt -122.03 127.89 50.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -105.91 134.44 49.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -39.2 111.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.09 25.92 17.98 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -99.12 111.47 23.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.3 t -71.19 118.31 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.44 HG21 ' CD2' ' A' ' 26' ' ' LEU . 18.6 t -114.22 131.87 64.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -95.42 108.56 20.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.9 mt -64.2 109.32 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -91.78 -56.57 3.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -119.06 146.52 45.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -107.16 -45.64 4.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 49.8 mm -81.64 120.38 33.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 142.45 141.52 3.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.56 -162.75 54.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.16 154.33 4.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.769 0.318 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -56.51 136.38 54.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.57 -45.73 2.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.408 ' CZ3' ' HD3' ' A' ' 57' ' ' PRO . 17.3 m95 -45.56 147.35 0.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.785 0.326 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -134.35 171.08 14.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -115.41 111.03 20.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.49 -160.92 10.84 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.504 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -155.26 143.22 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.92 0.39 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.4 t -168.3 130.98 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.175 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 10.8 t-20 63.31 31.9 15.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.16 35.7 70.84 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.447 ' O ' ' CD1' ' A' ' 24' ' ' LEU . 77.1 mtt180 -131.71 121.8 24.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.9 140.99 40.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.12 -167.22 38.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -90.46 128.42 36.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.796 0.331 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.626 ' HB2' HD11 ' A' ' 26' ' ' LEU . 12.3 p90 -134.79 143.99 48.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.653 0.739 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.408 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 54.0 Cg_endo -69.72 132.99 24.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.9 p -73.87 -29.64 62.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.423 HG23 ' HD1' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -63.96 -16.52 61.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.423 ' HD1' HG23 ' A' ' 59' ' ' THR . 8.5 m-85 -89.66 -19.56 24.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.1 m -118.74 167.3 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -126.93 136.77 52.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -87.28 92.23 9.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.901 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.567 HG22 ' HG2' ' A' ' 33' ' ' ARG . 36.7 p -139.9 150.09 44.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.132 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.02 173.52 11.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.117 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 89.9 t -132.43 124.86 52.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 27' ' ' ARG . . . -59.81 119.64 8.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.07 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.471 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 5.9 mmp_? -94.18 -11.93 29.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -153.65 142.19 20.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -64.77 127.87 33.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -131.58 115.18 15.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.76 108.37 20.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.42 126.43 27.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.08 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -81.21 -44.67 17.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -101.79 160.0 14.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.2 mtm -59.53 -47.96 83.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -45.56 -54.7 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -55.71 174.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.4 tp -136.13 126.69 26.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.3 p -69.99 136.58 50.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.594 HD11 ' HB2' ' A' ' 56' ' ' PHE . 93.2 mt -120.63 140.17 51.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.486 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 7.9 tpp85 -121.38 135.79 55.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -44.49 112.31 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.86 -36.07 4.63 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -46.78 125.3 7.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.8 t -87.67 126.56 41.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.449 HG11 ' CE2' ' A' ' 56' ' ' PHE . 22.2 t -116.84 125.64 73.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.567 ' HG2' HG22 ' A' ' 9' ' ' THR . 75.7 mtt-85 -89.2 105.48 17.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.7 mt -58.97 102.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -77.62 -57.58 3.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -126.02 138.69 53.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.817 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.425 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 16.3 mtm105 -99.56 -41.53 7.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 78.8 mt -72.69 121.45 23.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.116 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.17 152.28 6.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.9 -175.5 17.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -58.65 162.21 4.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.745 0.307 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -58.35 118.55 5.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.62 -49.26 0.88 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.421 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 37.4 m95 -50.15 141.14 11.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.755 0.312 . . . . 0.0 110.932 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.427 ' CH2' ' OE1' ' A' ' 63' ' ' GLU . 22.1 m0 -138.69 171.01 14.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -114.9 121.08 42.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.64 -150.53 5.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.534 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.42 ' OE1' ' C ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -172.17 144.07 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.906 0.384 . . . . 0.0 110.879 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.6 t -172.26 135.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 m120 67.34 29.79 7.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.57 31.61 67.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.5 mtt85 -131.22 131.66 44.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.0 mt -126.57 144.51 36.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.6 -156.27 28.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.445 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -102.22 124.14 47.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.8 0.333 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.594 ' HB2' HD11 ' A' ' 26' ' ' LEU . 23.6 p90 -126.92 144.02 48.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 133.51 25.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.725 2.283 . . . . 0.0 112.36 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.2 t -80.29 -21.24 42.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.74 HG23 ' HD1' ' A' ' 60' ' ' TYR . 5.8 t -73.67 -10.68 59.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.74 ' HD1' HG23 ' A' ' 59' ' ' THR . 6.2 m-85 -100.51 -8.45 23.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.501 ' CG1' HD13 ' A' ' 26' ' ' LEU . 2.5 m -130.01 156.15 42.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -116.01 148.67 39.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.427 ' OE1' ' CH2' ' A' ' 45' ' ' TRP . 28.8 mt-10 -101.13 104.41 15.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.451 HG22 ' HG3' ' A' ' 33' ' ' ARG . 70.1 p -138.58 152.26 48.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 111.155 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.23 171.79 13.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 11' ' ' VAL . 11.7 p -131.26 127.75 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.8 114.8 5.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -88.5 -19.73 26.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -142.04 141.04 32.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -65.13 136.73 57.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.527 ' HB2' ' CD2' ' A' ' 60' ' ' TYR . 6.1 t80 -137.74 128.72 27.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.6 116.63 31.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.03 123.34 16.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.35 -19.93 41.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -138.42 164.39 29.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.4 mtt -62.61 -36.55 83.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.425 ' HG3' ' CD ' ' A' ' 23' ' ' GLU . 12.9 ptp180 -62.15 -33.9 75.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.425 ' CD ' ' HG3' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -73.4 162.83 28.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.5 tp -123.97 128.5 49.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.7 m -69.67 147.05 51.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.1 mt -127.92 134.52 49.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.0 tpt85 -121.75 137.3 54.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -43.69 104.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.7 -39.2 2.69 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -45.48 117.56 1.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.348 . . . . 0.0 110.851 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.3 t -91.78 114.69 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.766 HG11 ' CE2' ' A' ' 56' ' ' PHE . 38.7 t -98.77 141.49 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.451 ' HG3' HG22 ' A' ' 9' ' ' THR . 39.0 ttt180 -98.78 102.67 14.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.2 mt -57.15 118.72 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -107.16 -48.92 3.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 p -112.9 135.89 53.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.889 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -99.38 -38.91 8.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.463 HD12 ' C ' ' A' ' 38' ' ' ILE . 2.7 pp -122.88 166.61 17.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 129.85 -44.87 1.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -96.21 -143.81 15.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.455 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.41 ' HB3' ' CD1' ' A' ' 44' ' ' TRP . 8.8 t70 -69.96 172.28 8.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -78.17 101.81 7.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.12 35.23 2.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.464 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.41 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 46.7 m95 -137.48 138.85 40.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.776 0.322 . . . . 0.0 110.877 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 27.7 m0 -128.33 163.24 25.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -115.76 117.4 30.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.464 ' HA3' HG12 ' A' ' 32' ' ' VAL . . . -126.19 -156.9 9.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -158.88 117.14 2.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.952 0.406 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.2 t -144.61 151.5 39.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 34.6 t30 46.33 35.12 2.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.52 36.74 92.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.442 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -135.78 130.3 33.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.756 0.313 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.3 mt -122.97 141.99 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.39 -173.33 41.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -87.62 120.41 28.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.743 0.306 . . . . 0.0 110.924 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.766 ' CE2' HG11 ' A' ' 32' ' ' VAL . 23.5 p90 -123.0 144.65 43.7 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.619 0.723 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 119.42 6.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.42 ' HA ' HG22 ' A' ' 61' ' ' VAL . 69.1 p -64.71 -33.4 75.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.4 p -59.64 -15.63 20.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.166 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.527 ' CD2' ' HB2' ' A' ' 16' ' ' PHE . 8.1 m-85 -93.9 -19.57 20.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.42 HG22 ' HA ' ' A' ' 58' ' ' SER . 2.9 m -117.43 176.79 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -142.88 135.24 27.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -76.61 94.51 3.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.3 p -119.08 146.1 45.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 0.0 111.128 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.54 153.72 50.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 30' ' ' ASP . 14.9 p -121.15 133.98 66.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.083 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.924 ' HB2' HD12 ' A' ' 26' ' ' LEU . . . -67.11 112.45 4.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.504 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 8.4 mmm180 -85.09 -9.79 57.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.504 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 24.3 m-85 -145.19 145.13 31.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -68.52 151.76 46.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.506 ' CZ ' ' HA ' ' A' ' 18' ' ' ALA . 3.3 t80 -154.15 123.93 6.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.84 96.24 10.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.093 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.506 ' HA ' ' CZ ' ' A' ' 16' ' ' PHE . . . -40.74 116.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.8 mmt-85 -59.35 -38.87 81.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -140.63 175.37 9.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.3 mtt -56.71 -45.98 81.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -48.64 -42.36 34.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -71.1 -177.62 1.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.736 HD23 ' HB3' ' A' ' 56' ' ' PHE . 4.9 tp -143.61 123.61 13.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.4 m -73.19 133.89 44.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.924 HD12 ' HB2' ' A' ' 12' ' ' ALA . 3.2 mm? -110.68 143.48 41.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 29' ' ' GLY . 6.9 ttp85 -123.06 141.34 52.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -53.99 87.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' ARG . . . 135.44 -26.25 3.22 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.559 ' O ' HG23 ' A' ' 11' ' ' VAL . 25.0 m-20 -54.21 142.22 26.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 64.0 t -114.97 110.85 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.833 HG11 ' CE2' ' A' ' 56' ' ' PHE . 5.5 t -94.37 149.23 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.2 mtt-85 -110.2 107.08 16.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.8 mt -59.49 101.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -80.4 -56.53 4.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -123.43 127.8 48.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.3 mtm-85 -88.75 -34.01 17.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.4 mm -88.48 64.69 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -166.32 119.36 0.85 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.28 -168.05 22.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 42' ' ' GLN . 1.7 m-20 -78.23 72.52 4.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.742 0.306 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 41' ' ' ASP . 28.6 tp60 34.75 45.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 174.02 -45.75 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.401 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 25.4 m95 -59.8 159.72 8.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 110.923 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.401 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 32.7 m0 -136.32 169.08 18.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -122.29 120.97 35.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.07 -147.84 4.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.488 ' HG3' HD11 ' A' ' 53' ' ' ILE . 10.5 tm-20 -163.79 137.93 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.954 0.407 . . . . 0.0 110.869 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.4 t -161.77 134.58 6.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 60.72 34.55 19.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.88 36.32 91.98 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.6 mtt-85 -135.95 122.96 21.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.488 HD11 ' HG3' ' A' ' 48' ' ' GLU . 4.0 mp -114.97 142.02 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.68 -175.9 39.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -85.17 120.13 26.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.814 0.34 . . . . 0.0 110.918 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.833 ' CE2' HG11 ' A' ' 32' ' ' VAL . 40.5 p90 -119.73 145.76 40.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.672 0.749 . . . . 0.0 110.837 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 119.29 6.26 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.5 p -66.43 -8.07 23.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.42 -11.21 56.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.169 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -102.0 -5.19 24.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.1 m -121.85 161.02 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 64' ' ' GLU . 3.7 tm-20 -121.46 119.11 31.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.96 82.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' GLU . 85.3 mt-10 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.3 p -138.71 148.99 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 0.0 111.182 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -119.11 161.7 19.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.85 130.63 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 27' ' ' ARG . . . -57.74 102.88 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.436 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 3.8 mmp_? -81.16 -27.92 35.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -140.06 144.88 37.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 41.5 p-10 -63.55 127.15 30.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -137.13 115.46 11.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.27 123.47 31.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.31 115.59 4.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -66.58 -48.97 67.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.829 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -110.9 160.44 16.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.3 ptt? -57.79 -51.13 70.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -46.98 -34.82 5.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -69.38 177.69 2.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 63.9 tp -134.28 125.58 28.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.9 p -68.1 140.25 56.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.512 HD13 ' CG1' ' A' ' 61' ' ' VAL . 44.6 mt -122.48 130.2 52.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.484 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 4.5 tpp85 -121.06 136.33 55.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -39.77 113.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.24 -41.3 2.25 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -45.07 130.34 7.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 78.1 t -100.35 124.85 54.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.7 t -108.23 136.56 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 -94.37 101.66 13.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 83.5 mt -59.59 98.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -81.47 -50.32 9.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.2 m -115.65 152.29 33.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 -115.51 -31.93 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.9 mm -112.97 104.26 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 40' ' ' GLY . . . 169.1 -146.38 10.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.532 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' GLY . . . 34.29 -148.45 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.466 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.439 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . 86.0 m-20 -82.84 -176.94 6.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.729 0.299 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -66.02 99.55 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.04 32.45 8.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.439 ' CD1' ' HB2' ' A' ' 41' ' ' ASP . 24.9 m95 -122.21 150.48 42.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.762 0.315 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.592 ' CZ3' ' HB2' ' A' ' 58' ' ' SER . 23.7 m0 -128.84 169.06 15.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.576 ' HB2' ' CZ3' ' A' ' 55' ' ' TRP . 45.5 tttt -113.7 118.81 35.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -136.73 -152.39 6.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.528 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -172.14 143.47 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 110.914 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.7 t -167.98 132.46 1.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 70.56 38.21 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.66 31.44 80.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -132.08 121.75 24.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.749 0.309 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.0 mt -111.83 129.58 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -175.41 -162.37 26.53 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.576 ' CZ3' ' HB2' ' A' ' 46' ' ' LYS . 75.3 m95 -101.37 131.52 47.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.779 0.323 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -132.51 149.94 74.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.606 0.717 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -176.13 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.349 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.592 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 83.0 p -124.13 -23.01 4.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.0 t -76.9 -27.71 55.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -81.42 -15.77 54.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.512 ' CG1' HD13 ' A' ' 26' ' ' LEU . 3.8 m -119.16 165.34 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.442 ' OE2' ' C ' ' A' ' 63' ' ' GLU . 2.5 tm-20 -115.06 119.88 37.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.442 ' C ' ' OE2' ' A' ' 62' ' ' GLU . 2.4 mp0 -71.2 104.92 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.918 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 48.0 p -147.31 141.15 25.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 111.149 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.28 151.42 50.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.076 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 p -116.39 134.58 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.423 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . . . -67.76 111.5 4.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -90.55 -2.11 57.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -152.2 143.71 23.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -68.43 116.25 8.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -122.11 129.81 52.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.4 125.57 48.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.93 118.05 7.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.21 -29.45 57.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -133.91 159.85 39.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.0 ptp -53.85 -52.15 61.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -48.69 -33.76 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.526 ' OE2' ' CZ3' ' A' ' 44' ' ' TRP . 0.2 OUTLIER -71.96 169.3 16.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.411 HD11 ' CB ' ' A' ' 52' ' ' ARG . 49.8 tp -129.95 129.42 43.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.961 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.2 p -72.24 148.56 45.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.827 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.59 HD11 ' HB2' ' A' ' 56' ' ' PHE . 11.7 mt -135.23 131.88 37.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -117.11 146.56 43.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -49.14 110.39 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.56 -31.82 7.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -51.0 133.46 27.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.2 t -106.02 115.17 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.423 HG12 ' HA3' ' A' ' 47' ' ' GLY . 6.5 t -102.64 125.37 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.415 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 11.0 mpt_? -80.95 129.44 34.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.687 HD12 ' CE3' ' A' ' 45' ' ' TRP . 2.5 mm -81.49 111.12 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -95.38 -53.14 3.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 m -124.47 145.59 49.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.439 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 15.8 mtp180 -102.4 -44.06 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.499 HD12 ' C ' ' A' ' 38' ' ' ILE . 2.3 pp -100.68 167.45 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 147.15 -58.03 0.49 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -113.38 -95.01 2.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 42' ' ' GLN . 10.5 t70 -85.7 166.51 16.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.725 0.298 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.445 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 77.3 mt-30 -86.03 34.49 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.39 -40.66 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.526 ' CZ3' ' OE2' ' A' ' 23' ' ' GLU . 34.4 m95 -64.73 153.44 39.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.902 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.687 ' CE3' HD12 ' A' ' 34' ' ' ILE . 33.3 m0 -132.45 -176.55 4.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -137.27 110.76 7.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.423 ' HA3' HG12 ' A' ' 32' ' ' VAL . . . -129.42 -163.56 11.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.526 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -153.2 125.26 7.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.951 0.405 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 t -149.31 139.56 22.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.167 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.416 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 34.2 t30 60.09 28.71 18.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.57 32.93 64.11 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.531 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.411 ' CB ' HD11 ' A' ' 24' ' ' LEU . 65.2 mtt-85 -132.38 125.96 32.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.784 0.326 . . . . 0.0 110.893 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.4 mt -115.87 137.54 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.44 -174.79 44.44 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.508 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 63.1 m95 -87.45 132.53 33.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.819 0.342 . . . . 0.0 110.915 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.59 ' HB2' HD11 ' A' ' 26' ' ' LEU . 22.5 p90 -135.27 144.14 48.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.664 0.745 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 122.29 8.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.655 2.237 . . . . 0.0 112.396 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.535 ' HA ' HG22 ' A' ' 61' ' ' VAL . 85.8 p -70.76 -7.22 43.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 40.2 p -81.61 -31.27 32.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -85.66 2.69 44.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.535 HG22 ' HA ' ' A' ' 58' ' ' SER . 24.3 m -127.7 165.5 26.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.138 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -119.6 119.52 34.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -72.35 128.76 36.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.917 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.653 HG22 ' HG2' ' A' ' 33' ' ' ARG . 44.3 p -139.52 148.42 42.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 111.141 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.93 167.96 20.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.421 ' O ' HG13 ' A' ' 11' ' ' VAL . 12.2 p -124.96 127.02 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.477 ' HA ' HG12 ' A' ' 61' ' ' VAL . . . -60.66 115.68 3.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.472 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 2.2 mmp_? -91.66 -14.76 29.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -149.22 140.12 22.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -67.4 137.37 55.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.521 ' CZ ' ' HA ' ' A' ' 18' ' ' ALA . 4.6 t80 -143.92 117.86 9.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -86.83 98.72 11.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.083 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.521 ' HA ' ' CZ ' ' A' ' 16' ' ' PHE . . . -34.55 108.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -48.75 -50.5 33.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -117.94 171.9 7.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 60.7 mtp -58.4 -45.08 89.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.1 mmp_? -48.25 -54.21 14.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.64 -176.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 55' ' ' TRP . 28.4 tp -138.95 134.13 32.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.7 m -72.13 130.29 40.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.6 mt -110.56 134.5 52.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.443 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 17.7 ttt85 -122.61 141.82 51.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -51.32 108.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.2 -28.22 9.95 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.438 ' CG ' ' HB3' ' A' ' 27' ' ' ARG . 7.6 m-20 -55.93 109.86 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.88 0.371 . . . . 0.0 110.828 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.4 t -83.06 115.78 26.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.461 HG11 ' CE2' ' A' ' 56' ' ' PHE . 7.3 t -102.16 141.59 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.653 ' HG2' HG22 ' A' ' 9' ' ' THR . 32.6 mtm-85 -102.32 101.94 12.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.1 mt -56.36 100.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -80.07 -44.24 20.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 m -125.6 106.35 9.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.413 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 25.4 ttt-85 -64.83 -37.2 86.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 90.9 mt -134.08 140.99 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 134.02 29.06 0.47 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.495 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.26 -113.74 1.14 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -93.51 -178.48 4.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -38.53 -50.73 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.7 75.07 0.22 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.522 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.418 ' CZ3' ' HD3' ' A' ' 57' ' ' PRO . 10.5 m95 -128.03 -177.41 4.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.731 0.301 . . . . 0.0 110.917 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.482 ' CZ3' ' HB2' ' A' ' 58' ' ' SER . 10.0 m0 -140.93 160.15 40.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -127.79 111.52 13.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.452 ' HA3' HG12 ' A' ' 32' ' ' VAL . . . -134.42 -158.39 8.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -147.9 137.23 22.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.94 0.4 . . . . 0.0 110.928 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.1 t -161.35 131.93 5.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.0 t30 63.53 27.67 15.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.98 34.91 61.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -133.73 120.76 20.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.769 0.319 . . . . 0.0 110.921 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mp -113.17 127.22 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.48 -169.76 40.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.493 ' O ' ' N ' ' A' ' 24' ' ' LEU . 94.9 m95 -88.76 129.74 35.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.834 0.349 . . . . 0.0 110.957 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.461 ' CE2' HG11 ' A' ' 32' ' ' VAL . 28.1 p90 -131.15 143.95 51.5 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.661 0.743 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.418 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 54.0 Cg_endo -69.76 119.39 6.35 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.628 2.219 . . . . 0.0 112.334 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.482 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 80.8 p -67.63 -30.56 70.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.6 p -64.5 -13.58 52.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -94.72 -15.04 24.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.477 HG12 ' HA ' ' A' ' 12' ' ' ALA . 2.6 m -116.69 179.94 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.129 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -142.78 130.04 20.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -71.35 110.27 5.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.598 HG22 ' HG3' ' A' ' 33' ' ' ARG . 70.4 p -120.53 146.64 46.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.806 0.336 . . . . 0.0 111.141 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.91 175.2 7.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.416 ' O ' HG13 ' A' ' 11' ' ' VAL . 13.3 p -131.47 128.86 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.97 115.73 7.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.059 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.565 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 24.1 mmt180 -91.39 -3.5 56.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.565 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 36.3 m-85 -153.12 145.18 23.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 15' ' ' ASN . 3.4 p30 -74.62 115.72 14.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.481 ' HB2' ' CD2' ' A' ' 60' ' ' TYR . 19.4 t80 -115.92 129.82 56.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.63 107.05 17.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.078 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.64 137.89 48.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -86.29 -40.47 15.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.62 170.02 10.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 31.2 mtm -61.56 -44.02 97.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -49.07 -40.0 29.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -71.84 175.37 5.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.535 HD11 ' O ' ' A' ' 52' ' ' ARG . 10.1 tp -135.57 125.78 26.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.6 p -69.52 154.71 41.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.634 HD11 ' HB2' ' A' ' 56' ' ' PHE . 10.7 mt -140.41 138.88 35.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -121.94 139.7 53.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -46.45 105.03 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.31 -35.97 4.01 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -47.81 122.18 4.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -93.75 117.85 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.6 t -101.91 143.89 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.598 ' HG3' HG22 ' A' ' 9' ' ' THR . 26.1 ttm180 -102.71 103.84 14.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.851 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.8 mt -61.01 116.63 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -98.78 -55.45 2.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -114.58 145.12 42.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -98.54 -43.2 6.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.7 pt -107.84 162.97 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.094 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.95 -33.74 2.49 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.31 -153.46 15.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -63.21 175.12 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -76.62 93.83 3.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.02 39.1 0.98 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 38.4 m95 -139.92 144.7 37.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.752 0.31 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.495 ' CZ3' ' HB2' ' A' ' 58' ' ' SER . 33.5 m0 -129.03 170.41 13.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.447 ' HB2' ' CZ3' ' A' ' 55' ' ' TRP . 75.2 tttt -123.67 125.92 45.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.905 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.14 -155.3 6.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.425 ' HG3' ' CG1' ' A' ' 53' ' ' ILE . 18.8 tt0 -159.15 137.25 10.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.947 0.403 . . . . 0.0 110.902 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -161.58 138.03 8.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.4 t30 60.26 31.48 20.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.32 34.4 80.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.535 ' O ' HD11 ' A' ' 24' ' ' LEU . 42.9 mtt85 -134.8 119.85 18.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.425 ' CG1' ' HG3' ' A' ' 48' ' ' GLU . 49.3 mt -110.08 141.05 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 167.78 -170.89 42.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.447 ' CZ3' ' HB2' ' A' ' 46' ' ' LYS . 73.1 m95 -91.52 152.07 20.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.634 ' HB2' HD11 ' A' ' 26' ' ' LEU . 13.3 p90 -161.08 144.67 9.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.646 0.736 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 121.52 8.2 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.731 2.287 . . . . 0.0 112.328 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.495 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 92.0 p -60.94 -23.76 65.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.8 p -64.45 -38.85 92.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.481 ' CD2' ' HB2' ' A' ' 16' ' ' PHE . 10.0 m-85 -66.28 -16.42 64.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 m -120.29 179.59 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -136.86 128.66 29.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -73.26 127.17 31.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.913 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.437 HG22 ' HG2' ' A' ' 33' ' ' ARG . 81.7 p -124.3 146.98 48.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.773 0.32 . . . . 0.0 111.147 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.44 161.18 30.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p -120.98 136.89 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.167 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.44 112.76 6.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.568 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 15.4 mmt180 -87.65 -7.66 57.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 47.0 m-85 -154.31 145.41 22.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.96 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -69.74 138.78 53.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CD1' ' N ' ' A' ' 17' ' ' ALA . 3.1 t80 -136.09 133.8 37.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.436 ' N ' ' CD1' ' A' ' 16' ' ' PHE . . . -101.24 99.51 9.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.8 121.62 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -64.81 -41.05 96.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -137.56 172.97 12.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.9 mmt -59.53 -46.68 88.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -43.08 -43.16 4.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -77.32 -179.95 6.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 55' ' ' TRP . 15.0 tp -137.28 123.06 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.5 p -68.01 149.09 50.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.451 HD13 ' CG1' ' A' ' 61' ' ' VAL . 89.7 mt -124.68 134.94 52.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.7 ttt85 -117.71 139.28 51.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -45.15 113.46 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.76 -36.25 4.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.53 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -46.46 117.8 1.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.873 0.368 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.4 t -92.1 109.53 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.835 HG11 ' CE2' ' A' ' 56' ' ' PHE . 3.3 t -93.64 140.57 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.437 ' HG2' HG22 ' A' ' 9' ' ' THR . 53.3 mtm180 -101.86 103.22 13.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.2 mt -61.55 106.15 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -84.48 -56.3 3.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -123.52 145.76 48.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 37' ' ' ARG . 9.0 mtp-105 -106.57 -38.91 6.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.3 pt -93.76 141.93 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 132.84 -39.22 1.77 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.39 -169.46 40.48 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.32 169.17 4.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.823 0.344 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -72.74 89.84 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.52 25.55 1.58 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -140.41 148.7 41.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.699 0.285 . . . . 0.0 110.96 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -128.59 177.66 6.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -130.8 107.47 9.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.81 -142.28 5.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -170.46 141.88 2.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -158.04 133.12 8.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 60.73 37.37 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.8 37.24 93.2 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -134.5 126.35 29.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.2 mp -116.04 136.55 52.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.47 179.94 42.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.423 ' O ' ' N ' ' A' ' 24' ' ' LEU . 57.5 m95 -85.8 129.51 34.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.773 0.321 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.835 ' CE2' HG11 ' A' ' 32' ' ' VAL . 15.9 p90 -133.81 151.68 77.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 122.1 8.78 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.718 2.279 . . . . 0.0 112.348 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.5 p -76.22 -3.61 37.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 p -90.85 -6.47 54.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -104.39 -6.91 20.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.451 ' CG1' HD13 ' A' ' 26' ' ' LEU . 11.1 m -117.91 169.34 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -124.22 123.59 40.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -69.44 98.99 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.922 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m 52.24 44.18 29.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.894 0.378 . . . . 0.0 110.852 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -120.74 148.92 43.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.05 168.04 33.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p -139.47 173.14 11.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.37 . . . . 0.0 110.814 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.9 m -89.84 150.75 22.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.81 87.73 0.58 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.503 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.24 42.61 4.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.2 p -122.59 144.55 49.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.751 0.31 . . . . 0.0 111.143 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.496 ' HB1' ' HB ' ' A' ' 61' ' ' VAL . . . -123.27 145.89 48.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.079 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 11' ' ' VAL . 7.3 p -114.58 118.85 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.72 103.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.082 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -79.82 -5.02 54.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -146.4 136.88 23.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 -62.29 132.57 53.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -139.38 117.75 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.22 122.4 35.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.98 129.74 40.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -90.99 -42.44 10.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -97.34 140.31 31.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -22.21 4.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -74.73 -40.7 61.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -64.97 166.94 8.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.8 tp -119.62 129.02 54.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.6 m -68.3 136.32 53.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.587 HD21 HG21 ' A' ' 32' ' ' VAL . 11.8 mt -119.4 136.08 54.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.402 ' HB3' ' CG ' ' A' ' 30' ' ' ASP . 44.8 ttt180 -121.62 139.37 53.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -47.97 106.27 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.09 19.19 15.26 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.455 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.402 ' CG ' ' HB3' ' A' ' 27' ' ' ARG . 8.7 m-20 -101.88 112.66 25.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.842 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.8 t -73.87 143.56 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.587 HG21 HD21 ' A' ' 26' ' ' LEU . 3.2 t -137.01 130.98 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.44 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 2.4 mpt_? -85.01 145.87 27.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 79.7 mt -98.88 102.62 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -84.41 -57.18 3.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -124.57 132.81 53.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.806 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -84.37 -35.39 23.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.841 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.5 pt -132.31 145.98 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.41 -44.64 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.493 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -119.32 -83.0 0.81 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.517 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.3 141.61 44.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.309 . . . . 0.0 110.856 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.19 139.88 56.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.62 -57.78 1.91 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -57.1 142.92 40.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.476 ' CE3' ' HB2' ' A' ' 58' ' ' SER . 37.5 m0 -127.34 152.31 47.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.8 tttm -101.89 114.42 28.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.44 ' CA ' ' O ' ' A' ' 33' ' ' ARG . . . -129.44 -153.38 7.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.506 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -168.33 134.98 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.386 . . . . 0.0 110.931 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -164.29 145.93 8.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 57.96 27.61 14.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.37 31.09 68.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -129.36 137.85 51.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mp -128.02 138.97 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 176.42 -155.69 19.44 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.459 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -108.71 122.75 47.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -130.46 143.98 51.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 149.48 67.5 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.715 2.277 . . . . 0.0 112.347 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.476 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.3 t -94.21 -14.13 25.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.0 p -77.46 -24.48 50.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -85.18 -11.09 55.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.496 ' HB ' ' HB1' ' A' ' 10' ' ' ALA . 35.0 m -114.4 171.41 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -127.76 111.71 13.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -58.6 107.98 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -69.49 128.0 34.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -114.8 -141.75 7.65 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.1 mt -41.86 139.0 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 0.0 111.113 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -127.91 125.17 39.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 68.2 m -66.67 128.06 34.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -100.88 -92.21 2.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.417 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 84.98 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.646 2.231 . . . . 0.0 112.341 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.1 t -122.92 107.84 12.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.3 p -98.75 164.18 12.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.488 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 m -81.1 -61.58 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.916 0.389 . . . . 0.0 110.9 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.4 m -72.53 117.81 14.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.823 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.93 153.32 29.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.0 t -116.88 132.2 56.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.379 . . . . 0.0 110.819 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -99.91 111.53 23.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.826 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.87 118.55 0.54 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.458 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -162.66 50.65 0.32 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.461 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.1 p -131.52 140.71 49.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 111.076 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.57 159.44 27.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 p -121.49 131.42 73.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.01 110.19 5.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.08 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -82.8 -7.56 59.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -152.68 148.83 27.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -73.32 134.58 44.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 17' ' ' ALA . 14.4 t80 -122.93 153.59 39.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.426 ' N ' ' CD1' ' A' ' 16' ' ' PHE . . . -118.7 103.88 10.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.081 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.97 105.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.067 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -43.92 -39.47 4.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -152.59 170.61 19.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.3 tpp -39.52 -54.39 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -39.05 -58.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.16 167.32 5.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.456 HD23 ' CD1' ' A' ' 56' ' ' PHE . 4.1 tp -126.95 118.66 24.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.0 p -70.07 146.0 51.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 mt -127.28 143.61 51.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -119.49 134.22 55.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -39.79 103.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.48 7.97 29.35 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.506 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -87.08 119.01 26.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.0 t -86.33 121.78 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.071 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.684 HG11 ' CE1' ' A' ' 56' ' ' PHE . 20.7 t -107.94 142.2 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.9 mtt-85 -101.32 102.75 13.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.0 mt -62.83 105.99 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -92.53 -53.18 4.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.6 m -116.76 146.21 42.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.3 mtm-85 -107.42 -44.88 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.3 pt -70.14 147.79 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.82 142.4 11.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.506 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.77 -139.66 11.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -119.75 46.14 2.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.763 0.316 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 57.58 26.72 13.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 176.52 34.3 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.452 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.436 ' CZ3' ' HD3' ' A' ' 57' ' ' PRO . 24.3 m95 -137.05 153.76 50.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.8 0.334 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 26.9 m0 -134.73 162.34 32.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -111.26 113.09 25.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -132.82 -156.95 8.32 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.435 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -157.26 141.46 16.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.94 0.4 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.608 HG23 ' ND2' ' A' ' 50' ' ' ASN . 13.9 t -166.08 148.9 7.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.17 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.608 ' ND2' HG23 ' A' ' 49' ' ' THR . 17.0 p30 48.13 28.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.17 30.39 60.98 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.8 mtt-85 -128.4 126.96 41.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.3 mt -123.6 136.33 60.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 173.23 -158.51 28.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -100.66 119.53 38.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.684 ' CE1' HG11 ' A' ' 32' ' ' VAL . 29.7 p90 -127.37 144.38 50.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.65 0.738 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.436 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 53.9 Cg_endo -69.74 143.68 51.69 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.1 p -83.67 -22.22 32.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.2 t -68.18 -23.89 64.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -83.18 -18.76 38.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 m -117.85 164.96 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -128.77 134.28 48.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -82.99 105.27 13.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.4 ' OE2' ' CG1' ' A' ' 66' ' ' ILE . 9.4 pt-20 -108.92 145.98 34.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -99.18 59.77 0.82 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.532 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.4 ' CG1' ' OE2' ' A' ' 64' ' ' GLU . 10.8 mm -93.85 137.13 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 111.123 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -96.06 163.03 13.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.963 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.8 t -101.39 -60.25 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 153.31 -94.28 0.14 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 94.45 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.3 p -112.55 156.9 21.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.8 t -43.01 133.2 3.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.457 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -95.15 98.52 10.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -66.61 -41.99 87.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.86 -40.66 2.51 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -160.23 122.24 3.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.39 . . . . 0.0 110.825 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -161.47 162.99 30.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.818 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.9 -168.13 19.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.1 61.68 5.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.9 p -134.62 153.82 51.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.814 0.34 . . . . 0.0 111.161 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.31 163.87 27.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.429 HG23 ' HG3' ' A' ' 64' ' ' GLU . 63.4 t -122.45 134.06 66.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' A' ' 27' ' ' ARG . . . -65.61 115.79 6.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.463 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 4.7 mmp_? -91.12 -22.47 20.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.41 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 27.8 m-85 -150.13 145.0 26.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.408 ' ND2' ' OE2' ' A' ' 28' ' ' GLU . 10.3 m-80 -61.2 143.17 56.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -152.78 127.28 9.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.51 125.1 46.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.13 134.49 57.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 70.8 mtp85 -73.69 -43.36 59.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -132.25 162.99 29.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.31 -20.92 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -70.95 -47.42 59.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 1.1 mp0 -70.1 163.62 25.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.407 ' CD1' ' HB3' ' A' ' 52' ' ' ARG . 17.0 tp -119.78 132.81 55.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.0 t -70.26 157.39 37.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' A' ' 56' ' ' PHE . 64.0 mt -142.8 135.46 27.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.663 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 37.2 ttp180 -122.15 147.53 46.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' OE2' ' ND2' ' A' ' 15' ' ' ASN . 17.5 mt-10 -49.83 102.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.94 -34.85 4.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -46.41 117.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.2 t -91.35 111.08 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.469 HG21 ' CD2' ' A' ' 26' ' ' LEU . 7.6 t -96.68 145.68 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -101.75 104.76 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.8 mt -61.46 101.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -82.76 -54.3 5.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -131.97 144.79 51.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.471 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 38.3 mtp180 -94.99 -42.15 8.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.401 HD12 ' C ' ' A' ' 38' ' ' ILE . 2.8 pp -73.12 170.06 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.63 -98.94 0.6 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.25 -175.86 8.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -44.42 153.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.753 0.311 . . . . 0.0 110.847 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -51.88 104.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 130.52 -42.99 1.34 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.419 ' CZ3' ' HD3' ' A' ' 57' ' ' PRO . 67.6 m95 -66.54 130.54 43.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.745 0.307 . . . . 0.0 110.971 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.471 ' CD1' ' HA ' ' A' ' 37' ' ' ARG . 17.1 m0 -117.35 -176.66 3.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -133.0 117.73 17.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -138.57 -159.38 8.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.489 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -155.52 143.72 20.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.389 . . . . 0.0 110.844 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.0 t -168.92 148.82 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 48.83 31.8 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.61 29.44 71.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 32.3 mmt180 -126.88 124.9 40.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.755 0.312 . . . . 0.0 110.894 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.3 mt -118.0 152.06 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.64 -163.43 31.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.519 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -98.35 122.18 41.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.518 ' HB2' HD11 ' A' ' 26' ' ' LEU . 26.6 p90 -125.49 145.85 52.54 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.643 0.735 . . . . 0.0 110.838 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.419 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 53.6 Cg_endo -69.81 167.99 22.91 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.254 . . . . 0.0 112.307 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.447 ' HB3' ' CZ3' ' A' ' 45' ' ' TRP . 42.3 p -107.62 -21.29 12.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 82.1 p -72.08 -24.29 61.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -85.93 -19.88 29.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.426 ' CG1' HD13 ' A' ' 26' ' ' LEU . 4.8 m -118.88 163.3 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -117.06 129.13 55.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -74.94 107.51 7.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.429 ' HG3' HG23 ' A' ' 11' ' ' VAL . 18.8 mt-10 -58.76 163.28 3.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.59 160.41 10.45 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 38.4 pt -53.71 143.31 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -109.5 160.39 16.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 93.4 p -138.76 144.06 39.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.826 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 137.26 -158.46 24.37 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 123.25 9.92 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.332 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.8 t -83.26 -56.7 3.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -112.14 148.32 34.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.805 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 m 62.5 42.35 8.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.379 . . . . 0.0 110.901 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.8 p -105.77 41.95 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.73 -81.08 1.46 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -128.3 91.58 3.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 110.833 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -88.1 138.86 31.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.06 42.12 94.88 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -146.38 54.02 0.54 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.5 p -137.16 150.75 48.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 111.19 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.33 166.56 16.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.3 p -124.99 128.88 73.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.34 107.24 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.418 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 2.8 mmp_? -83.32 -5.68 59.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -152.75 156.0 38.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -75.31 117.26 16.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -125.97 140.22 52.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.73 142.07 47.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.28 97.27 4.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -48.58 -41.36 30.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -116.66 -175.01 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 20.1 ptt? -80.02 -35.29 37.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.427 ' N ' ' HG3' ' A' ' 21' ' ' MET . 12.8 ptm180 -69.9 -7.47 40.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -93.78 163.32 13.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' A' ' 52' ' ' ARG . 63.9 tp -119.8 119.45 33.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.967 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.2 m -71.53 137.32 48.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 mt -121.52 139.73 53.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 27' ' ' ARG . 17.8 ttp-105 -118.32 138.26 52.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -38.7 104.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.16 18.11 20.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -91.0 115.71 28.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 0.0 110.824 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.2 t -80.67 125.83 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.7 t -114.07 146.32 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.4 mtt85 -103.28 104.37 14.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 55.3 mt -64.01 100.98 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -81.42 -46.25 14.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -130.89 107.91 9.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.574 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 28.5 ttt180 -68.0 -28.27 67.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.5 mt -108.64 128.22 64.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -152.94 -127.95 1.28 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.72 -95.21 0.95 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.469 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.54 ' CB ' ' CD1' ' A' ' 44' ' ' TRP . 74.1 m-20 -38.15 149.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -85.24 45.75 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.914 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.97 31.49 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.54 ' CD1' ' CB ' ' A' ' 41' ' ' ASP . 33.4 m95 -128.97 159.27 36.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.741 0.305 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.574 ' CD1' ' HA ' ' A' ' 37' ' ' ARG . 24.2 m0 -141.27 160.59 39.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -107.32 116.22 31.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.98 -160.66 9.36 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.448 ' OE2' HD11 ' A' ' 53' ' ' ILE . 41.0 tt0 -164.03 143.76 8.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.952 0.406 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.4 t -168.4 145.45 3.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.3 m120 53.93 32.62 15.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.49 36.48 77.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.438 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 31.7 mmt180 -133.81 119.01 18.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 110.878 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.448 HD11 ' OE2' ' A' ' 48' ' ' GLU . 19.4 mt -115.47 144.22 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.49 -154.64 25.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 91.9 m95 -100.69 130.52 46.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -130.55 144.77 54.69 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.667 0.746 . . . . 0.0 110.864 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 120.01 6.87 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.658 2.239 . . . . 0.0 112.376 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.3 p -74.36 -3.96 33.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.6 p -88.24 -34.55 17.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -78.28 -0.95 30.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.8 m -119.75 177.86 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -138.81 109.86 6.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -56.35 112.31 1.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -82.26 164.21 21.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 66' ' ' ILE . . . 147.62 125.94 1.6 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 65' ' ' GLY . 9.3 tt -36.56 154.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.754 0.312 . . . . 0.0 111.149 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -117.05 169.72 9.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -68.19 137.69 55.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -159.45 -159.04 9.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 2.77 3.22 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.313 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.5 m -67.33 137.26 55.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.8 m -90.1 -57.84 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.497 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -70.58 172.64 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 0.0 110.895 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -50.43 -55.54 15.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.81 95.67 1.63 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -149.77 108.51 3.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -108.13 104.71 14.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.78 105.63 0.11 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.536 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.89 105.49 0.2 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.496 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.1 p -142.85 137.91 29.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.764 0.316 . . . . 0.0 111.164 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.32 171.8 7.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 p -134.6 132.53 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 27' ' ' ARG . . . -66.81 115.19 6.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.111 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -92.23 -12.58 32.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -148.57 147.76 29.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -71.49 133.05 45.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -140.06 136.29 33.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.01 123.52 47.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.87 124.53 23.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . 2.6 ptm85 -75.69 -44.99 39.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -108.24 165.12 11.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 29.7 ttm -61.23 -51.95 66.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -45.65 -42.54 11.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -60.55 166.76 2.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.433 ' CD1' ' HB3' ' A' ' 52' ' ' ARG . 43.3 tp -129.16 131.38 47.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.4 p -68.17 139.8 56.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.5 mt -120.57 127.31 52.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.539 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 18.5 ttm-85 -120.42 139.49 52.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -47.22 103.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.92 -34.87 4.54 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -51.55 108.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.8 t -75.53 139.1 19.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.642 HG11 ' CE1' ' A' ' 56' ' ' PHE . 5.8 t -129.22 145.35 35.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.433 ' HG2' ' CE1' ' A' ' 35' ' ' TYR . 45.8 ttt180 -108.94 109.21 20.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.7 mt -65.14 101.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.433 ' CE1' ' HG2' ' A' ' 33' ' ' ARG . 21.8 m-85 -81.61 -59.5 2.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.7 t -108.15 140.67 41.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -93.67 -36.04 12.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.506 HD12 ' C ' ' A' ' 38' ' ' ILE . 2.6 pp -120.77 154.32 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 154.91 -51.5 0.46 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.01 -120.08 1.53 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' GLY . 6.3 t70 -79.16 46.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.772 0.32 . . . . 0.0 110.93 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 41' ' ' ASP . 2.6 tp-100 36.08 32.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -152.81 -53.04 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.559 ' CZ3' ' HD3' ' A' ' 57' ' ' PRO . 14.1 m95 -57.83 161.48 3.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.32 . . . . 0.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 40.9 m0 -123.39 153.01 40.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -110.54 120.45 42.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -131.94 -152.02 7.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -166.78 120.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 0.0 110.933 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.424 HG22 HD21 ' A' ' 24' ' ' LEU . 13.8 t -141.45 143.85 34.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 56.21 27.82 12.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.16 38.98 58.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.455 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 26.0 mmt-85 -135.81 122.5 20.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.907 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mp -105.01 136.98 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.14 172.42 38.01 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -87.01 129.13 35.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.809 0.338 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.642 ' CE1' HG11 ' A' ' 32' ' ' VAL . 36.1 p90 -132.8 152.01 79.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.604 0.716 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.559 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 53.5 Cg_endo -69.78 152.24 69.16 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.652 2.235 . . . . 0.0 112.364 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.3 p -93.67 -17.71 22.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -73.81 -41.32 62.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -66.28 -15.91 63.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 18.7 m -114.45 178.54 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -135.59 118.25 16.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -71.69 109.34 5.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -117.23 132.82 56.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -122.67 -58.97 0.2 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.8 pp -57.07 166.17 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.808 0.337 . . . . 0.0 111.091 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -125.81 154.69 42.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.7 m -154.03 135.88 14.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 159.51 -158.29 29.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.482 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 162.79 40.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.258 . . . . 0.0 112.353 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.0 t -143.52 125.9 15.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.2 m -112.41 103.57 11.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.831 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 t -113.35 132.8 55.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.918 0.39 . . . . 0.0 110.863 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.7 m -122.2 137.73 54.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.62 -177.59 42.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -108.97 130.82 55.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.891 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -103.1 -45.81 4.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.22 118.03 1.95 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -147.38 123.1 1.68 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.2 p -133.9 145.43 49.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 111.155 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.71 168.94 11.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.7 t -133.77 125.14 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.092 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.2 103.26 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.478 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 14.6 mmm180 -85.11 -0.35 54.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.478 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 42.3 m-85 -157.62 149.5 22.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -70.68 128.5 36.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -134.04 130.87 38.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.23 122.1 40.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.415 ' HB2' ' N ' ' A' ' 25' ' ' SER . . . -54.94 108.39 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.127 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -48.28 -53.35 17.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -122.65 170.12 10.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 29.3 mtt -56.19 -39.28 72.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -57.36 -48.76 78.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -54.6 -177.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.7 tp -136.64 121.24 18.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.415 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 37.1 m -68.88 132.01 46.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 56' ' ' PHE . 38.3 mt -113.5 140.94 47.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.407 ' HB3' ' CG ' ' A' ' 30' ' ' ASP . 9.3 tpt180 -122.11 138.54 54.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -43.65 105.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.58 14.26 25.95 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.407 ' CG ' ' HB3' ' A' ' 27' ' ' ARG . 13.5 m-20 -92.46 112.98 25.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.854 0.359 . . . . 0.0 110.858 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 36.6 t -78.52 128.27 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.452 HG11 ' CE1' ' A' ' 56' ' ' PHE . 22.5 t -121.43 137.66 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -96.94 105.15 17.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.4 mt -58.19 110.7 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -99.42 -54.33 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.407 ' OG ' ' CB ' ' A' ' 46' ' ' LYS . 92.8 p -113.54 144.01 43.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.887 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.512 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 14.8 mmt85 -106.58 -40.81 5.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 pt -109.45 160.84 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 141.93 -42.34 1.15 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.06 -126.28 3.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -82.69 155.13 24.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.748 0.309 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -59.36 110.73 1.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.45 -59.33 0.5 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -47.18 142.58 3.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.74 0.305 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' A' ' 58' ' ' SER . 19.6 m0 -135.72 168.26 19.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.935 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.407 ' CB ' ' OG ' ' A' ' 36' ' ' SER . 28.6 tttp -113.15 125.3 54.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.11 -152.52 5.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -160.6 141.0 11.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 110.91 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -163.13 154.43 17.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 44.77 30.35 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.23 34.49 64.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -133.52 123.39 25.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.787 0.327 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.8 mt -110.65 135.15 50.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 173.05 -175.19 46.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -86.56 124.24 32.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.452 ' CE1' HG11 ' A' ' 32' ' ' VAL . 28.2 p90 -126.2 150.39 69.62 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.655 0.741 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 158.21 57.72 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.326 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.537 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 82.7 p -105.32 -12.52 16.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.0 t -86.09 -30.42 22.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -80.71 -3.63 51.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.0 m -123.02 179.62 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -137.43 115.83 11.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -65.14 102.34 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -120.8 159.68 24.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 125.96 -91.93 0.4 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.2 pt -48.56 158.02 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.311 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -136.42 136.72 39.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.6 t -117.91 88.43 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.45 78.49 1.41 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 113.25 3.31 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.365 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.2 t 40.4 43.16 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.5 m -67.03 -54.37 22.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.832 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.457 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 t -126.26 88.83 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 110.823 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.4 m -116.47 145.73 43.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.26 83.53 1.72 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 m -63.63 132.37 50.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 110.833 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -51.12 -46.89 62.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.73 -139.93 14.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 127.91 43.26 0.24 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 33' ' ' ARG . 72.6 p -133.09 156.22 47.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 111.128 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.11 163.07 16.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.056 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.5 t -121.94 122.37 66.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.44 103.4 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 4.4 mmp_? -80.76 -19.7 44.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -140.91 156.86 46.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -80.99 121.38 25.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -124.82 146.82 49.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.48 120.95 40.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.54 98.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -44.03 -40.18 4.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -131.34 162.6 29.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.7 mtp -52.25 -48.88 64.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -45.55 -41.79 10.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.48 172.42 9.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.9 tp -123.65 134.19 53.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.485 ' O ' HD23 ' A' ' 26' ' ' LEU . 24.7 t -73.95 148.34 42.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.529 HD11 ' HB2' ' A' ' 56' ' ' PHE . 83.4 mt -135.26 130.67 35.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.3 ttp85 -118.48 137.88 52.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -42.12 107.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.28 11.53 33.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -90.07 108.9 20.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.2 t -76.34 122.25 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.178 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.9 t -112.37 143.75 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.403 ' HA ' HG22 ' A' ' 9' ' ' THR . 23.3 ttt180 -104.71 104.01 13.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 86.0 mt -60.49 101.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -85.95 -53.73 4.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 m -117.44 128.67 55.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -97.09 -50.56 4.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.3 mt -76.52 110.33 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 163.18 -142.64 8.01 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 38.18 -158.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.05 59.81 3.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.712 0.291 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 53.7 50.22 17.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.2 -57.08 0.21 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.48 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -47.04 157.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.727 0.298 . . . . 0.0 110.918 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -129.95 172.71 11.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -127.25 114.12 17.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -124.45 -152.17 8.28 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -158.89 132.14 7.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.93 0.395 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.3 t -159.87 143.8 14.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 54.8 30.59 13.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.47 32.77 67.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -133.6 136.48 44.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.772 0.32 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.0 mp -127.62 134.22 65.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.118 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 177.33 -171.14 43.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -86.73 117.83 25.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.795 0.331 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.529 ' HB2' HD11 ' A' ' 26' ' ' LEU . 20.2 p90 -122.57 148.96 54.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.701 0.763 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 147.25 62.71 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.73 2.287 . . . . 0.0 112.344 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.412 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 92.4 p -94.57 -10.85 30.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.892 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 61.4 p -84.58 -41.17 16.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.09 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -72.48 -3.51 24.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.412 ' CG2' ' HA ' ' A' ' 58' ' ' SER . 16.1 m -119.24 165.75 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -115.15 116.09 27.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -79.7 96.81 6.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -50.48 159.06 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -179.31 -52.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 25.3 pt -66.81 166.18 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.762 0.315 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -145.53 140.93 27.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 59.8 p -73.14 155.05 40.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.06 67.74 1.33 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.517 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -42.19 3.6 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.704 2.27 . . . . 0.0 112.35 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 72' ' ' SER . 1.1 t -111.9 127.75 55.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 71' ' ' SER . 31.8 p 36.31 41.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.445 -179.947 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.4 m -136.97 174.7 10.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 t -133.51 164.59 26.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.59 -78.6 0.15 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 p -127.95 171.84 11.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.846 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -94.72 115.87 28.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.812 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.25 -98.14 0.89 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.72 65.82 1.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.6 p -134.39 155.5 50.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.321 . . . . 0.0 111.183 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.07 171.69 8.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.9 t -134.56 126.64 48.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 27' ' ' ARG . . . -58.57 103.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.473 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 3.3 mmp_? -77.69 -26.45 50.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -136.88 161.19 36.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -83.99 118.82 24.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -126.88 134.34 50.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.03 116.05 31.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.055 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.2 108.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -54.82 -44.83 74.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.88 167.45 12.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.8 tpp -58.85 -55.05 40.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 86.4 mtt-85 -41.73 -43.39 2.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.73 173.21 2.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.6 tp -125.08 135.96 53.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.7 p -73.84 135.99 43.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.4 HD21 HG21 ' A' ' 32' ' ' VAL . 87.1 mt -119.6 127.93 53.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.401 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 25.6 ttt180 -120.24 135.48 54.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -42.18 111.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.39 -39.03 2.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.443 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -48.28 121.28 4.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.0 t -93.57 109.75 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.678 HG11 ' CE1' ' A' ' 56' ' ' PHE . 5.5 t -93.69 143.15 12.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.113 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -102.89 103.28 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.2 mt -63.3 102.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -82.65 -59.01 2.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -121.58 131.47 54.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -93.1 -47.15 7.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.1 mt -93.6 129.64 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -176.93 -76.6 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.7 -134.01 6.8 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.456 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . 80.6 m-20 -50.27 135.1 22.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.737 0.303 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -50.02 147.86 3.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.3 -54.9 3.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.456 ' CD1' ' HB2' ' A' ' 41' ' ' ASP . 93.7 m95 -46.7 118.29 1.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.761 0.315 . . . . 0.0 110.91 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 38.8 m0 -109.07 168.34 9.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -124.33 111.39 15.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -128.93 -145.8 6.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.501 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -174.37 130.47 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 t -157.1 139.12 14.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.163 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 61.49 32.51 18.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.42 32.92 80.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -130.72 124.86 32.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.807 0.337 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.0 mt -119.61 140.99 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 176.12 -151.89 12.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 85.3 m95 -115.47 118.16 32.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.809 0.338 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.678 ' CE1' HG11 ' A' ' 32' ' ' VAL . 27.1 p90 -126.4 144.04 48.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.648 0.737 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 171.88 13.7 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.352 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.598 ' HA ' HG22 ' A' ' 61' ' ' VAL . 87.9 p -104.04 -34.05 8.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.3 p -59.51 -18.42 40.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -93.83 -14.81 25.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.598 HG22 ' HA ' ' A' ' 58' ' ' SER . 34.0 m -120.61 160.24 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -121.93 117.7 27.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -68.1 88.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -67.39 128.81 37.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -136.18 -120.84 2.02 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.555 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.553 ' N ' HD13 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -45.13 152.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.092 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -124.89 133.21 53.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -81.37 164.54 22.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -173.33 -160.48 21.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 109.69 2.36 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.7 p -87.11 -43.92 11.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.5 p -69.02 154.08 42.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.478 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.4 p -45.7 102.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 p -83.41 42.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.75 56.26 17.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.526 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.7 p -168.02 146.94 4.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.866 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.9 p -127.64 164.69 21.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.95 82.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -129.11 46.66 1.06 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.487 HG22 ' HA ' ' A' ' 33' ' ' ARG . 79.1 p -123.92 169.82 11.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.8 0.333 . . . . 0.0 111.152 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -142.46 158.1 44.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 p -114.1 128.37 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.51 103.13 2.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.415 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 23.1 mmm180 -73.15 -17.02 61.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 26.5 m-85 -143.72 158.16 43.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.24 149.66 28.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 18' ' ' ALA . 20.3 t80 -140.38 153.33 46.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.91 106.56 11.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 16' ' ' PHE . . . -54.78 102.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 45.4 mmm-85 -56.97 -34.55 68.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -132.75 152.4 51.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.2 ttp -42.98 -47.54 5.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -45.58 -53.43 9.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -59.58 162.72 4.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.409 ' CD1' ' HB3' ' A' ' 52' ' ' ARG . 40.8 tp -119.66 127.5 52.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.9 p -71.86 138.7 48.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.686 HD11 ' HB2' ' A' ' 56' ' ' PHE . 69.0 mt -122.42 142.65 50.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.4 ' HB3' ' CG ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -122.65 137.4 54.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -46.54 106.28 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.62 13.58 25.64 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.4 ' CG ' ' HB3' ' A' ' 27' ' ' ARG . 40.2 m-20 -95.67 120.09 35.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.838 0.351 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.0 t -83.0 132.3 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.462 HG11 ' CE1' ' A' ' 56' ' ' PHE . 40.5 t -119.7 137.32 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.487 ' HA ' HG22 ' A' ' 9' ' ' THR . 11.1 tpp85 -97.55 101.56 13.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 55.3 mt -59.24 101.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -81.42 -57.57 3.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -125.0 150.86 46.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -102.45 -37.83 7.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.0 pt -82.83 166.08 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.54 -105.75 0.67 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.89 -81.34 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.482 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . 37.4 m-20 -126.18 141.45 51.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.726 0.298 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 41' ' ' ASP . 3.1 tp60 -36.37 -53.07 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.26 -52.06 14.98 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.482 ' CD1' ' HB2' ' A' ' 41' ' ' ASP . 26.6 m95 -51.07 143.56 10.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 0.0 110.921 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 24.3 m0 -131.76 169.83 15.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.478 ' HB2' ' CZ3' ' A' ' 55' ' ' TRP . 25.2 tttt -119.73 113.98 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.438 ' HA3' HG12 ' A' ' 32' ' ' VAL . . . -125.24 -155.23 8.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -158.04 138.84 13.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.933 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.0 t -169.55 134.2 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.201 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 65.05 37.45 6.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.76 34.88 90.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.409 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 41.3 mtp180 -134.32 132.96 40.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.805 0.336 . . . . 0.0 110.817 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.4 mp -125.74 122.77 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.149 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.94 -173.84 38.36 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.513 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.478 ' CZ3' ' HB2' ' A' ' 46' ' ' LYS . 71.7 m95 -89.76 120.02 30.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.931 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.686 ' HB2' HD11 ' A' ' 26' ' ' LEU . 20.2 p90 -122.33 145.03 43.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.7 0.762 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 135.49 30.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.338 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.54 ' HA ' HG22 ' A' ' 61' ' ' VAL . 67.1 p -78.57 -13.11 59.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.5 p -75.8 -29.26 58.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -85.73 -2.0 57.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 58' ' ' SER . 11.7 m -128.89 162.31 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -126.39 125.68 42.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -66.8 118.35 10.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -70.17 152.26 44.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 67' ' ' GLN . . . -134.19 61.64 0.64 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.443 ' C ' ' O ' ' A' ' 65' ' ' GLY . 9.6 tt -34.84 -32.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.805 0.336 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 65' ' ' GLY . 8.4 tp60 -146.0 146.27 30.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.5 t -111.3 -37.03 5.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -124.0 -158.07 10.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -176.77 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 2.281 . . . . 0.0 112.337 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.5 t -159.78 161.26 34.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.3 p -164.65 144.8 7.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 t -114.96 -57.54 2.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.36 . . . . 0.0 110.832 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.4 p -49.91 163.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.22 -152.45 46.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m 52.52 44.38 30.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.37 . . . . 0.0 110.884 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.3 t -68.75 -48.23 64.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.833 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.5 117.95 0.79 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.53 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -145.05 47.46 0.75 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.48 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.1 p -135.63 142.87 45.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.739 0.304 . . . . 0.0 111.159 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.88 147.66 47.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -114.03 140.87 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.585 ' HA ' HG12 ' A' ' 61' ' ' VAL . . . -67.6 107.74 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -81.25 -24.09 37.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -138.15 144.35 40.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -65.02 120.13 12.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.495 ' HB2' ' CD2' ' A' ' 60' ' ' TYR . 8.3 t80 -130.22 120.72 24.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.12 113.23 24.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.485 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -50.16 129.13 20.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -74.36 -46.73 38.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -113.98 160.1 19.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 31.4 mtt -53.42 -46.68 69.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -48.83 -45.58 40.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.583 ' OE1' ' CZ3' ' A' ' 44' ' ' TRP . 54.1 mm-40 -62.86 165.76 6.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.44 HD21 HG22 ' A' ' 49' ' ' THR . 22.9 tp -121.37 126.91 50.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 92.2 p -68.42 134.69 50.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.402 HD11 ' HB2' ' A' ' 56' ' ' PHE . 67.6 mt -113.87 131.51 56.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -120.43 133.98 55.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -40.85 103.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.48 -43.15 1.62 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -45.81 119.98 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.8 t -93.17 126.57 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.408 HG12 ' HA3' ' A' ' 47' ' ' GLY . 4.1 t -111.44 142.9 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -107.85 102.14 11.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.4 mt -54.98 107.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -88.61 -48.52 7.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -123.93 128.72 49.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.0 mtm180 -80.03 -52.22 8.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 37.9 mm -106.45 134.65 47.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -167.91 -83.29 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.16 -130.68 3.49 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.515 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -55.2 173.34 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.728 0.299 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -87.94 133.41 33.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.85 32.56 20.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.583 ' CZ3' ' OE1' ' A' ' 23' ' ' GLU . 62.0 m95 -140.05 137.9 34.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.721 0.296 . . . . 0.0 110.889 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.563 ' CZ3' ' HB2' ' A' ' 58' ' ' SER . 29.9 m0 -118.28 174.43 6.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.0 tttp -134.98 113.56 11.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.408 ' HA3' HG12 ' A' ' 32' ' ' VAL . . . -130.89 -146.34 5.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -157.84 131.15 7.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.942 0.401 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.44 HG22 HD21 ' A' ' 24' ' ' LEU . 14.4 t -153.09 128.34 9.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.105 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 61.84 35.72 16.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.92 33.61 80.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -131.87 123.18 26.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.335 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.59 139.71 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.6 -177.06 41.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.483 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 43.7 m95 -85.27 121.12 27.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.848 0.356 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.402 ' HB2' HD11 ' A' ' 26' ' ' LEU . 8.7 p90 -121.66 150.21 54.7 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.69 0.757 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 130.62 19.62 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.563 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 60.3 p -84.76 -3.59 58.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.687 HG23 ' HD1' ' A' ' 60' ' ' TYR . 1.9 t -93.32 -13.4 28.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.127 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.687 ' HD1' HG23 ' A' ' 59' ' ' THR . 7.8 m-85 -100.26 -6.61 25.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.585 HG12 ' HA ' ' A' ' 12' ' ' ALA . 28.5 m -117.41 165.67 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -121.41 123.32 41.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.507 ' OE2' ' CH2' ' A' ' 45' ' ' TRP . 29.9 mt-10 -78.42 97.17 5.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -44.31 162.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.25 63.58 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.485 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.2 mm -81.63 131.92 32.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.764 0.316 . . . . 0.0 111.14 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -64.81 160.91 19.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.6 t -117.53 -63.13 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -153.07 82.66 0.17 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 123.79 10.44 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.5 p -133.84 164.03 28.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.3 m -60.48 110.4 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 m -127.27 150.53 49.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.945 0.402 . . . . 0.0 110.815 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.9 m -54.78 105.98 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.39 115.84 4.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.4 m -141.68 114.71 8.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.874 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -49.13 171.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.8 157.26 8.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.507 ' O ' HG23 ' A' ' 9' ' ' THR . . . 54.21 86.42 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 8' ' ' GLY . 56.6 p -160.49 148.89 16.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 0.0 111.105 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.511 ' HB1' ' HB ' ' A' ' 61' ' ' VAL . . . -129.06 138.0 51.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.804 HG22 HG22 ' A' ' 31' ' ' VAL . 88.4 t -100.92 134.19 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 27' ' ' ARG . . . -66.13 101.06 0.66 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.054 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -78.82 -14.47 59.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -141.93 154.04 44.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.417 ' CG ' ' O ' ' A' ' 15' ' ' ASN . 3.7 p-10 -83.2 111.69 19.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -119.35 137.09 53.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.0 119.41 38.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.25 97.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -43.97 -51.56 7.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -118.02 174.63 6.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 22' ' ' ARG . 4.2 ppp? -60.44 -45.17 94.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 22' ' ' ARG . 25.8 mtm105 -49.55 -47.55 49.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -62.86 166.03 6.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.4 tp -120.46 128.63 53.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.7 m -68.2 123.86 21.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.841 HD11 ' HB2' ' A' ' 56' ' ' PHE . 65.9 mt -112.1 131.42 55.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.436 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 12.1 tpp180 -122.33 140.32 52.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -46.38 102.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 123.75 -36.52 2.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -53.07 125.15 16.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.811 0.338 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.804 HG22 HG22 ' A' ' 11' ' ' VAL . 98.6 t -98.86 110.4 26.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.626 HG11 ' CE1' ' A' ' 56' ' ' PHE . 2.7 t -90.37 135.48 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.087 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -96.76 102.35 14.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.4 mt -58.99 116.69 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -99.38 -55.74 2.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -123.2 137.04 54.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.426 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 68.5 mtt180 -89.02 -36.46 15.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.828 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 51.0 mt -92.0 119.81 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.456 ' C ' ' CZ3' ' A' ' 55' ' ' TRP . . . 139.24 149.31 5.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.0 -100.66 2.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -138.97 172.64 12.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.733 0.302 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -64.85 100.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.56 30.84 7.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.457 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.42 ' CH2' ' HD3' ' A' ' 57' ' ' PRO . 12.3 m95 -129.01 143.88 51.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.732 0.301 . . . . 0.0 110.943 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.426 ' CD1' ' HA ' ' A' ' 37' ' ' ARG . 24.1 m0 -122.35 166.01 15.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HB2' ' CZ3' ' A' ' 55' ' ' TRP . 25.5 tttp -116.82 118.81 33.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.12 -142.26 4.38 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 49' ' ' THR . 0.0 OUTLIER -173.25 140.51 0.86 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 0.0 110.869 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 49' ' ' THR . 13.3 t -147.31 122.58 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 63.53 29.44 15.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.23 -1.42 88.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -93.4 121.49 34.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.533 HG22 ' N ' ' A' ' 54' ' ' GLY . 21.6 mt -111.66 159.11 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.533 ' N ' HG22 ' A' ' 53' ' ' ILE . . . 150.05 176.32 23.02 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.453 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.456 ' CZ3' ' C ' ' A' ' 39' ' ' GLY . 69.3 m95 -89.41 125.36 35.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.781 0.324 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.841 ' HB2' HD11 ' A' ' 26' ' ' LEU . 10.4 p90 -129.76 144.0 51.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.657 0.741 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.42 ' HD3' ' CH2' ' A' ' 44' ' ' TRP . 53.7 Cg_endo -69.76 130.91 20.16 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 90.2 p -65.8 -19.94 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.49 -30.94 69.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.491 ' O ' HG13 ' A' ' 61' ' ' VAL . 28.7 m-85 -93.98 33.58 1.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.511 ' HB ' ' HB1' ' A' ' 10' ' ' ALA . 27.5 m -159.64 158.33 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.143 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -121.73 119.35 31.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -70.27 107.98 3.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -48.82 147.06 2.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -178.11 -105.87 0.2 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.467 ' C ' HD12 ' A' ' 66' ' ' ILE . 2.4 pp -40.95 156.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 111.13 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -116.85 85.41 2.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.3 m -42.81 127.15 3.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.24 -158.23 15.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 143.46 50.89 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.678 2.252 . . . . 0.0 112.356 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 89.4 p -95.5 158.05 15.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -132.52 179.21 6.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.462 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 m -88.23 140.86 29.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.839 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m 40.55 42.59 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.06 69.93 0.84 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.504 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -154.87 126.34 7.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.945 0.403 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -103.93 148.16 26.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.821 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.24 112.75 3.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.462 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 159.08 66.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.4 p -120.28 134.46 55.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.803 0.335 . . . . 0.0 111.108 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.5 154.1 30.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 88.1 t -115.32 113.15 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.72 110.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -82.14 -17.84 44.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -142.08 162.23 36.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -87.62 145.91 25.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -142.81 123.85 14.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -93.75 100.31 12.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -37.68 97.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.095 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -54.06 -41.76 68.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.35 176.98 4.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.0 mtm -68.18 -51.02 50.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.5 ptp85 -52.99 -47.05 68.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -50.89 160.11 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.447 ' CD1' ' O ' ' A' ' 52' ' ' ARG . 11.3 tp -119.53 121.51 39.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.0 p -71.19 135.61 47.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.626 HD11 ' HB2' ' A' ' 56' ' ' PHE . 32.7 mt -122.03 127.89 50.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -105.91 134.44 49.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -39.2 111.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.09 25.92 17.98 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -99.12 111.47 23.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.3 t -71.19 118.31 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.44 HG21 ' CD2' ' A' ' 26' ' ' LEU . 18.6 t -114.22 131.87 64.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -95.42 108.56 20.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.9 mt -64.2 109.32 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -91.78 -56.57 3.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -119.06 146.52 45.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -107.16 -45.64 4.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 49.8 mm -81.64 120.38 33.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 142.45 141.52 3.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.56 -162.75 54.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.16 154.33 4.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.769 0.318 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -56.51 136.38 54.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.57 -45.73 2.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.408 ' CZ3' ' HD3' ' A' ' 57' ' ' PRO . 17.3 m95 -45.56 147.35 0.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.785 0.326 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -134.35 171.08 14.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -115.41 111.03 20.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.49 -160.92 10.84 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.504 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -155.26 143.22 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.92 0.39 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.4 t -168.3 130.98 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.175 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 10.8 t-20 63.31 31.9 15.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.16 35.7 70.84 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.447 ' O ' ' CD1' ' A' ' 24' ' ' LEU . 77.1 mtt180 -131.71 121.8 24.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.9 140.99 40.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.12 -167.22 38.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -90.46 128.42 36.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.796 0.331 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.626 ' HB2' HD11 ' A' ' 26' ' ' LEU . 12.3 p90 -134.79 143.99 48.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.653 0.739 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.408 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 54.0 Cg_endo -69.72 132.99 24.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.9 p -73.87 -29.64 62.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.423 HG23 ' HD1' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -63.96 -16.52 61.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.423 ' HD1' HG23 ' A' ' 59' ' ' THR . 8.5 m-85 -89.66 -19.56 24.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.1 m -118.74 167.3 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -126.93 136.77 52.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -87.28 92.23 9.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -46.18 170.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -99.74 113.18 4.64 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.461 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.1 mt -38.38 -41.57 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.843 0.354 . . . . 0.0 111.173 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -40.68 129.73 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.6 m -169.63 174.04 6.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.8 168.7 29.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -36.7 10.37 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.72 2.28 . . . . 0.0 112.339 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t 42.99 41.38 2.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.7 t -58.26 101.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 1' ' ' GLY . 15.8 p 35.07 45.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.956 0.408 . . . . 0.0 110.873 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.3 m -68.16 123.75 21.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.73 -132.25 10.93 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.437 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m 54.45 41.67 31.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.852 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.3 m -130.32 137.89 50.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.3 81.58 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.491 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.17 140.66 28.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.567 HG22 ' HG2' ' A' ' 33' ' ' ARG . 36.7 p -139.9 150.09 44.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.132 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.02 173.52 11.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.117 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 89.9 t -132.43 124.86 52.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 27' ' ' ARG . . . -59.81 119.64 8.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.07 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.471 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 5.9 mmp_? -94.18 -11.93 29.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -153.65 142.19 20.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -64.77 127.87 33.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -131.58 115.18 15.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.76 108.37 20.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.42 126.43 27.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.08 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -81.21 -44.67 17.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -101.79 160.0 14.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.2 mtm -59.53 -47.96 83.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -45.56 -54.7 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -55.71 174.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.4 tp -136.13 126.69 26.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.3 p -69.99 136.58 50.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.594 HD11 ' HB2' ' A' ' 56' ' ' PHE . 93.2 mt -120.63 140.17 51.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.486 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 7.9 tpp85 -121.38 135.79 55.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -44.49 112.31 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.86 -36.07 4.63 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -46.78 125.3 7.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.8 t -87.67 126.56 41.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.449 HG11 ' CE2' ' A' ' 56' ' ' PHE . 22.2 t -116.84 125.64 73.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.567 ' HG2' HG22 ' A' ' 9' ' ' THR . 75.7 mtt-85 -89.2 105.48 17.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.7 mt -58.97 102.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -77.62 -57.58 3.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -126.02 138.69 53.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.817 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.425 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 16.3 mtm105 -99.56 -41.53 7.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 78.8 mt -72.69 121.45 23.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.116 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.17 152.28 6.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.9 -175.5 17.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -58.65 162.21 4.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.745 0.307 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -58.35 118.55 5.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.62 -49.26 0.88 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.421 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 37.4 m95 -50.15 141.14 11.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.755 0.312 . . . . 0.0 110.932 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.427 ' CH2' ' OE1' ' A' ' 63' ' ' GLU . 22.1 m0 -138.69 171.01 14.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -114.9 121.08 42.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.64 -150.53 5.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.534 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.42 ' OE1' ' C ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -172.17 144.07 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.906 0.384 . . . . 0.0 110.879 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.6 t -172.26 135.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 m120 67.34 29.79 7.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.57 31.61 67.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.5 mtt85 -131.22 131.66 44.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.0 mt -126.57 144.51 36.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.6 -156.27 28.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.445 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -102.22 124.14 47.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.8 0.333 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.594 ' HB2' HD11 ' A' ' 26' ' ' LEU . 23.6 p90 -126.92 144.02 48.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 133.51 25.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.725 2.283 . . . . 0.0 112.36 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.2 t -80.29 -21.24 42.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.74 HG23 ' HD1' ' A' ' 60' ' ' TYR . 5.8 t -73.67 -10.68 59.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.74 ' HD1' HG23 ' A' ' 59' ' ' THR . 6.2 m-85 -100.51 -8.45 23.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.501 ' CG1' HD13 ' A' ' 26' ' ' LEU . 2.5 m -130.01 156.15 42.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -116.01 148.67 39.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.427 ' OE1' ' CH2' ' A' ' 45' ' ' TRP . 28.8 mt-10 -101.13 104.41 15.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -101.02 149.53 23.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -99.91 -97.78 2.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.6 pt -68.81 165.08 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -74.57 -48.33 27.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.5 t -63.6 97.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.79 167.99 46.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.475 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -177.62 1.96 Allowed 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.712 2.275 . . . . 0.0 112.304 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.8 t -66.62 134.59 52.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.0 p -42.46 108.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.948 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 p -101.3 99.54 9.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.9 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t 55.82 41.8 29.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.78 135.88 49.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.0 p -108.05 100.85 10.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.349 . . . . 0.0 110.866 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.6 m -68.36 174.29 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.13 113.97 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.517 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -131.16 67.41 0.56 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.451 HG22 ' HG3' ' A' ' 33' ' ' ARG . 70.1 p -138.58 152.26 48.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 111.155 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.23 171.79 13.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 11' ' ' VAL . 11.7 p -131.26 127.75 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.8 114.8 5.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -88.5 -19.73 26.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -142.04 141.04 32.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -65.13 136.73 57.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.527 ' HB2' ' CD2' ' A' ' 60' ' ' TYR . 6.1 t80 -137.74 128.72 27.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.6 116.63 31.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.03 123.34 16.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.35 -19.93 41.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -138.42 164.39 29.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.4 mtt -62.61 -36.55 83.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.425 ' HG3' ' CD ' ' A' ' 23' ' ' GLU . 12.9 ptp180 -62.15 -33.9 75.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.425 ' CD ' ' HG3' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -73.4 162.83 28.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.5 tp -123.97 128.5 49.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.7 m -69.67 147.05 51.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.1 mt -127.92 134.52 49.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.0 tpt85 -121.75 137.3 54.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -43.69 104.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.7 -39.2 2.69 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -45.48 117.56 1.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.348 . . . . 0.0 110.851 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.3 t -91.78 114.69 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.766 HG11 ' CE2' ' A' ' 56' ' ' PHE . 38.7 t -98.77 141.49 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.451 ' HG3' HG22 ' A' ' 9' ' ' THR . 39.0 ttt180 -98.78 102.67 14.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.2 mt -57.15 118.72 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -107.16 -48.92 3.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 p -112.9 135.89 53.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.889 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -99.38 -38.91 8.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.463 HD12 ' C ' ' A' ' 38' ' ' ILE . 2.7 pp -122.88 166.61 17.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 129.85 -44.87 1.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -96.21 -143.81 15.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.455 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.41 ' HB3' ' CD1' ' A' ' 44' ' ' TRP . 8.8 t70 -69.96 172.28 8.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -78.17 101.81 7.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.12 35.23 2.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.464 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.41 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 46.7 m95 -137.48 138.85 40.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.776 0.322 . . . . 0.0 110.877 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 27.7 m0 -128.33 163.24 25.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -115.76 117.4 30.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.464 ' HA3' HG12 ' A' ' 32' ' ' VAL . . . -126.19 -156.9 9.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -158.88 117.14 2.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.952 0.406 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.2 t -144.61 151.5 39.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 34.6 t30 46.33 35.12 2.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.52 36.74 92.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.442 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -135.78 130.3 33.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.756 0.313 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.3 mt -122.97 141.99 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.39 -173.33 41.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -87.62 120.41 28.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.743 0.306 . . . . 0.0 110.924 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.766 ' CE2' HG11 ' A' ' 32' ' ' VAL . 23.5 p90 -123.0 144.65 43.7 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.619 0.723 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 119.42 6.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.42 ' HA ' HG22 ' A' ' 61' ' ' VAL . 69.1 p -64.71 -33.4 75.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.4 p -59.64 -15.63 20.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.166 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.527 ' CD2' ' HB2' ' A' ' 16' ' ' PHE . 8.1 m-85 -93.9 -19.57 20.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.42 HG22 ' HA ' ' A' ' 58' ' ' SER . 2.9 m -117.43 176.79 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -142.88 135.24 27.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -76.61 94.51 3.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -40.81 147.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' GLN . . . -143.95 110.03 0.56 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.655 ' H ' HD13 ' A' ' 66' ' ' ILE . 3.0 mm 38.83 28.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' GLY . 21.4 tt0 68.77 44.63 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' GLY . 19.9 t -71.91 165.57 23.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -168.29 -158.22 12.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -25.81 28.21 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.318 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 t -61.57 116.02 4.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 96.1 p -43.82 163.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.821 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 1' ' ' GLY . 83.1 p -36.97 139.92 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -129.15 170.02 14.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.68 -130.37 2.98 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -80.54 102.48 9.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.855 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -105.18 166.39 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.04 -125.69 2.89 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 148.89 52.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.3 p -119.08 146.1 45.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 0.0 111.128 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.54 153.72 50.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 30' ' ' ASP . 14.9 p -121.15 133.98 66.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.083 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.924 ' HB2' HD12 ' A' ' 26' ' ' LEU . . . -67.11 112.45 4.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.504 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 8.4 mmm180 -85.09 -9.79 57.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.504 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 24.3 m-85 -145.19 145.13 31.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -68.52 151.76 46.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.506 ' CZ ' ' HA ' ' A' ' 18' ' ' ALA . 3.3 t80 -154.15 123.93 6.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.84 96.24 10.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.093 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.506 ' HA ' ' CZ ' ' A' ' 16' ' ' PHE . . . -40.74 116.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.8 mmt-85 -59.35 -38.87 81.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -140.63 175.37 9.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.3 mtt -56.71 -45.98 81.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -48.64 -42.36 34.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -71.1 -177.62 1.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.736 HD23 ' HB3' ' A' ' 56' ' ' PHE . 4.9 tp -143.61 123.61 13.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.4 m -73.19 133.89 44.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.924 HD12 ' HB2' ' A' ' 12' ' ' ALA . 3.2 mm? -110.68 143.48 41.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 29' ' ' GLY . 6.9 ttp85 -123.06 141.34 52.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -53.99 87.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' ARG . . . 135.44 -26.25 3.22 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.559 ' O ' HG23 ' A' ' 11' ' ' VAL . 25.0 m-20 -54.21 142.22 26.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 64.0 t -114.97 110.85 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.833 HG11 ' CE2' ' A' ' 56' ' ' PHE . 5.5 t -94.37 149.23 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.2 mtt-85 -110.2 107.08 16.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.8 mt -59.49 101.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -80.4 -56.53 4.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -123.43 127.8 48.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.3 mtm-85 -88.75 -34.01 17.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.4 mm -88.48 64.69 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -166.32 119.36 0.85 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.28 -168.05 22.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 42' ' ' GLN . 1.7 m-20 -78.23 72.52 4.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.742 0.306 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 41' ' ' ASP . 28.6 tp60 34.75 45.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 174.02 -45.75 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.401 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 25.4 m95 -59.8 159.72 8.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 110.923 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.401 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 32.7 m0 -136.32 169.08 18.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -122.29 120.97 35.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.07 -147.84 4.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.488 ' HG3' HD11 ' A' ' 53' ' ' ILE . 10.5 tm-20 -163.79 137.93 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.954 0.407 . . . . 0.0 110.869 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.4 t -161.77 134.58 6.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 60.72 34.55 19.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.88 36.32 91.98 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.6 mtt-85 -135.95 122.96 21.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.488 HD11 ' HG3' ' A' ' 48' ' ' GLU . 4.0 mp -114.97 142.02 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.68 -175.9 39.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -85.17 120.13 26.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.814 0.34 . . . . 0.0 110.918 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.833 ' CE2' HG11 ' A' ' 32' ' ' VAL . 40.5 p90 -119.73 145.76 40.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.672 0.749 . . . . 0.0 110.837 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 119.29 6.26 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.5 p -66.43 -8.07 23.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.42 -11.21 56.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.169 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -102.0 -5.19 24.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.1 m -121.85 161.02 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 64' ' ' GLU . 3.7 tm-20 -121.46 119.11 31.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.96 82.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' GLU . 85.3 mt-10 -46.94 148.47 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.74 -48.93 0.21 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.5 pt -60.48 -16.46 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.732 0.301 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -76.61 126.82 31.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.7 m -98.46 172.14 7.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 140.3 146.35 4.81 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 140.62 42.95 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.362 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -51.3 96.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.8 t -72.97 163.34 28.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.473 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 t -40.87 158.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.858 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.4 p -135.38 138.21 43.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.04 49.6 73.72 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 t -160.06 154.53 23.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -173.95 146.4 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.39 76.5 1.24 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -158.52 49.43 0.42 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.446 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.3 p -138.71 148.99 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 0.0 111.182 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -119.11 161.7 19.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.85 130.63 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 27' ' ' ARG . . . -57.74 102.88 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.436 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 3.8 mmp_? -81.16 -27.92 35.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -140.06 144.88 37.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 41.5 p-10 -63.55 127.15 30.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -137.13 115.46 11.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.27 123.47 31.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.31 115.59 4.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -66.58 -48.97 67.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.829 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -110.9 160.44 16.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.3 ptt? -57.79 -51.13 70.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -46.98 -34.82 5.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -69.38 177.69 2.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 63.9 tp -134.28 125.58 28.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.9 p -68.1 140.25 56.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.512 HD13 ' CG1' ' A' ' 61' ' ' VAL . 44.6 mt -122.48 130.2 52.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.484 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 4.5 tpp85 -121.06 136.33 55.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -39.77 113.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.24 -41.3 2.25 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -45.07 130.34 7.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 78.1 t -100.35 124.85 54.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.7 t -108.23 136.56 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 -94.37 101.66 13.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 83.5 mt -59.59 98.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -81.47 -50.32 9.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.2 m -115.65 152.29 33.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 -115.51 -31.93 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.9 mm -112.97 104.26 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 40' ' ' GLY . . . 169.1 -146.38 10.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.532 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' GLY . . . 34.29 -148.45 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.466 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.439 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . 86.0 m-20 -82.84 -176.94 6.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.729 0.299 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -66.02 99.55 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.04 32.45 8.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.439 ' CD1' ' HB2' ' A' ' 41' ' ' ASP . 24.9 m95 -122.21 150.48 42.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.762 0.315 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.592 ' CZ3' ' HB2' ' A' ' 58' ' ' SER . 23.7 m0 -128.84 169.06 15.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.576 ' HB2' ' CZ3' ' A' ' 55' ' ' TRP . 45.5 tttt -113.7 118.81 35.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -136.73 -152.39 6.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.528 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -172.14 143.47 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 110.914 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.7 t -167.98 132.46 1.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 70.56 38.21 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.66 31.44 80.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -132.08 121.75 24.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.749 0.309 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.0 mt -111.83 129.58 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -175.41 -162.37 26.53 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.576 ' CZ3' ' HB2' ' A' ' 46' ' ' LYS . 75.3 m95 -101.37 131.52 47.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.779 0.323 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -132.51 149.94 74.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.606 0.717 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -176.13 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.349 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.592 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 83.0 p -124.13 -23.01 4.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.0 t -76.9 -27.71 55.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -81.42 -15.77 54.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.512 ' CG1' HD13 ' A' ' 26' ' ' LEU . 3.8 m -119.16 165.34 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.442 ' OE2' ' C ' ' A' ' 63' ' ' GLU . 2.5 tm-20 -115.06 119.88 37.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.442 ' C ' ' OE2' ' A' ' 62' ' ' GLU . 2.4 mp0 -71.2 104.92 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -65.12 126.35 27.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.61 58.16 0.49 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.5 pt -77.61 140.54 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.761 0.315 . . . . 0.0 111.197 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -108.11 143.01 37.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 69' ' ' GLY . 15.9 m -113.9 112.86 24.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 68' ' ' SER . . . 33.94 -96.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.529 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.425 ' N ' ' O ' ' A' ' 68' ' ' SER . 53.4 Cg_endo -69.82 138.48 37.74 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.662 2.241 . . . . 0.0 112.309 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 t -88.69 114.13 24.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.8 t -113.67 113.25 24.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 179.96 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t 69.28 42.71 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.34 . . . . 0.0 110.862 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -65.66 -45.98 80.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.31 -108.79 0.41 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.437 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 m -126.43 104.42 8.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.87 0.367 . . . . 0.0 110.805 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 m -100.83 134.21 44.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.46 -174.56 16.83 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.77 92.99 0.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 48.0 p -147.31 141.15 25.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 111.149 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.28 151.42 50.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.076 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 p -116.39 134.58 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.423 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . . . -67.76 111.5 4.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -90.55 -2.11 57.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -152.2 143.71 23.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -68.43 116.25 8.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -122.11 129.81 52.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.4 125.57 48.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.93 118.05 7.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.21 -29.45 57.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -133.91 159.85 39.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.0 ptp -53.85 -52.15 61.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -48.69 -33.76 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.526 ' OE2' ' CZ3' ' A' ' 44' ' ' TRP . 0.2 OUTLIER -71.96 169.3 16.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.411 HD11 ' CB ' ' A' ' 52' ' ' ARG . 49.8 tp -129.95 129.42 43.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.961 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.2 p -72.24 148.56 45.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.827 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.59 HD11 ' HB2' ' A' ' 56' ' ' PHE . 11.7 mt -135.23 131.88 37.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -117.11 146.56 43.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -49.14 110.39 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.56 -31.82 7.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -51.0 133.46 27.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.2 t -106.02 115.17 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.423 HG12 ' HA3' ' A' ' 47' ' ' GLY . 6.5 t -102.64 125.37 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.415 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 11.0 mpt_? -80.95 129.44 34.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.687 HD12 ' CE3' ' A' ' 45' ' ' TRP . 2.5 mm -81.49 111.12 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -95.38 -53.14 3.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 m -124.47 145.59 49.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.439 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 15.8 mtp180 -102.4 -44.06 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.499 HD12 ' C ' ' A' ' 38' ' ' ILE . 2.3 pp -100.68 167.45 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 147.15 -58.03 0.49 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -113.38 -95.01 2.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 42' ' ' GLN . 10.5 t70 -85.7 166.51 16.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.725 0.298 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.445 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 77.3 mt-30 -86.03 34.49 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.39 -40.66 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.526 ' CZ3' ' OE2' ' A' ' 23' ' ' GLU . 34.4 m95 -64.73 153.44 39.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.902 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.687 ' CE3' HD12 ' A' ' 34' ' ' ILE . 33.3 m0 -132.45 -176.55 4.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -137.27 110.76 7.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.423 ' HA3' HG12 ' A' ' 32' ' ' VAL . . . -129.42 -163.56 11.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.526 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -153.2 125.26 7.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.951 0.405 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 t -149.31 139.56 22.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.167 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.416 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 34.2 t30 60.09 28.71 18.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.57 32.93 64.11 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.531 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.411 ' CB ' HD11 ' A' ' 24' ' ' LEU . 65.2 mtt-85 -132.38 125.96 32.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.784 0.326 . . . . 0.0 110.893 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.4 mt -115.87 137.54 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.44 -174.79 44.44 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.508 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 63.1 m95 -87.45 132.53 33.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.819 0.342 . . . . 0.0 110.915 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.59 ' HB2' HD11 ' A' ' 26' ' ' LEU . 22.5 p90 -135.27 144.14 48.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.664 0.745 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 122.29 8.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.655 2.237 . . . . 0.0 112.396 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.535 ' HA ' HG22 ' A' ' 61' ' ' VAL . 85.8 p -70.76 -7.22 43.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 40.2 p -81.61 -31.27 32.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -85.66 2.69 44.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.535 HG22 ' HA ' ' A' ' 58' ' ' SER . 24.3 m -127.7 165.5 26.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.138 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -119.6 119.52 34.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -72.35 128.76 36.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -101.54 34.95 2.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.478 ' C ' HD12 ' A' ' 66' ' ' ILE . . . -90.11 107.48 3.44 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.451 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.582 ' O ' HG22 ' A' ' 66' ' ' ILE . 3.5 mp 47.72 26.85 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.738 0.304 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -90.49 151.67 21.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.974 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.6 p -99.53 174.21 6.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.14 -158.37 14.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.446 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 143.23 50.16 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.643 2.229 . . . . 0.0 112.342 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.2 t -164.39 143.46 7.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.4 t -95.34 -62.37 1.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -148.68 145.87 27.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.871 0.367 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -49.99 142.6 9.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.81 -83.58 1.69 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t -166.84 142.9 4.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.386 . . . . 0.0 110.833 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.3 p -55.47 126.19 24.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.815 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.68 151.34 23.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 178.85 97.43 0.11 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.653 HG22 ' HG2' ' A' ' 33' ' ' ARG . 44.3 p -139.52 148.42 42.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 111.141 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.93 167.96 20.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.421 ' O ' HG13 ' A' ' 11' ' ' VAL . 12.2 p -124.96 127.02 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.477 ' HA ' HG12 ' A' ' 61' ' ' VAL . . . -60.66 115.68 3.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.472 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 2.2 mmp_? -91.66 -14.76 29.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -149.22 140.12 22.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -67.4 137.37 55.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.521 ' CZ ' ' HA ' ' A' ' 18' ' ' ALA . 4.6 t80 -143.92 117.86 9.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -86.83 98.72 11.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.083 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.521 ' HA ' ' CZ ' ' A' ' 16' ' ' PHE . . . -34.55 108.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -48.75 -50.5 33.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -117.94 171.9 7.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 60.7 mtp -58.4 -45.08 89.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.1 mmp_? -48.25 -54.21 14.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.64 -176.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 55' ' ' TRP . 28.4 tp -138.95 134.13 32.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.7 m -72.13 130.29 40.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.6 mt -110.56 134.5 52.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.443 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 17.7 ttt85 -122.61 141.82 51.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -51.32 108.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.2 -28.22 9.95 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.438 ' CG ' ' HB3' ' A' ' 27' ' ' ARG . 7.6 m-20 -55.93 109.86 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.88 0.371 . . . . 0.0 110.828 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.4 t -83.06 115.78 26.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.461 HG11 ' CE2' ' A' ' 56' ' ' PHE . 7.3 t -102.16 141.59 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.653 ' HG2' HG22 ' A' ' 9' ' ' THR . 32.6 mtm-85 -102.32 101.94 12.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.1 mt -56.36 100.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -80.07 -44.24 20.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 m -125.6 106.35 9.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.413 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 25.4 ttt-85 -64.83 -37.2 86.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 90.9 mt -134.08 140.99 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 134.02 29.06 0.47 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.495 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.26 -113.74 1.14 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -93.51 -178.48 4.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -38.53 -50.73 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.7 75.07 0.22 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.522 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.418 ' CZ3' ' HD3' ' A' ' 57' ' ' PRO . 10.5 m95 -128.03 -177.41 4.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.731 0.301 . . . . 0.0 110.917 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.482 ' CZ3' ' HB2' ' A' ' 58' ' ' SER . 10.0 m0 -140.93 160.15 40.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -127.79 111.52 13.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.452 ' HA3' HG12 ' A' ' 32' ' ' VAL . . . -134.42 -158.39 8.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -147.9 137.23 22.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.94 0.4 . . . . 0.0 110.928 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.1 t -161.35 131.93 5.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.0 t30 63.53 27.67 15.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.98 34.91 61.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -133.73 120.76 20.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.769 0.319 . . . . 0.0 110.921 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mp -113.17 127.22 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.48 -169.76 40.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.493 ' O ' ' N ' ' A' ' 24' ' ' LEU . 94.9 m95 -88.76 129.74 35.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.834 0.349 . . . . 0.0 110.957 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.461 ' CE2' HG11 ' A' ' 32' ' ' VAL . 28.1 p90 -131.15 143.95 51.5 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.661 0.743 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.418 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 54.0 Cg_endo -69.76 119.39 6.35 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.628 2.219 . . . . 0.0 112.334 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.482 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 80.8 p -67.63 -30.56 70.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.6 p -64.5 -13.58 52.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -94.72 -15.04 24.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.477 HG12 ' HA ' ' A' ' 12' ' ' ALA . 2.6 m -116.69 179.94 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.129 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -142.78 130.04 20.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -71.35 110.27 5.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -67.58 161.01 26.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -179.15 67.02 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.3 pt -59.56 172.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.781 0.324 . . . . 0.0 111.139 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -76.22 133.77 40.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 92.1 p -118.05 159.2 23.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.61 -94.93 0.66 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.42 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -13.88 35.33 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.293 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 p -40.92 137.46 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.5 p -116.5 126.78 53.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.949 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.3 m -120.34 141.63 49.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.378 . . . . 0.0 110.841 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.6 p -131.16 141.5 50.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.52 -56.48 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.462 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -165.38 156.24 13.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.357 . . . . 0.0 110.865 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.9 m -130.37 161.69 30.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.87 54.98 1.63 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -130.45 50.38 0.89 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.598 HG22 ' HG3' ' A' ' 33' ' ' ARG . 70.4 p -120.53 146.64 46.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.806 0.336 . . . . 0.0 111.141 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.91 175.2 7.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.416 ' O ' HG13 ' A' ' 11' ' ' VAL . 13.3 p -131.47 128.86 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.97 115.73 7.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.059 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.565 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 24.1 mmt180 -91.39 -3.5 56.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.565 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 36.3 m-85 -153.12 145.18 23.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 15' ' ' ASN . 3.4 p30 -74.62 115.72 14.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.481 ' HB2' ' CD2' ' A' ' 60' ' ' TYR . 19.4 t80 -115.92 129.82 56.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.63 107.05 17.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.078 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.64 137.89 48.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -86.29 -40.47 15.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.62 170.02 10.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 31.2 mtm -61.56 -44.02 97.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -49.07 -40.0 29.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -71.84 175.37 5.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.535 HD11 ' O ' ' A' ' 52' ' ' ARG . 10.1 tp -135.57 125.78 26.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.6 p -69.52 154.71 41.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.634 HD11 ' HB2' ' A' ' 56' ' ' PHE . 10.7 mt -140.41 138.88 35.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -121.94 139.7 53.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -46.45 105.03 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.31 -35.97 4.01 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -47.81 122.18 4.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -93.75 117.85 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.6 t -101.91 143.89 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.598 ' HG3' HG22 ' A' ' 9' ' ' THR . 26.1 ttm180 -102.71 103.84 14.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.851 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.8 mt -61.01 116.63 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -98.78 -55.45 2.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -114.58 145.12 42.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -98.54 -43.2 6.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.7 pt -107.84 162.97 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.094 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.95 -33.74 2.49 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.31 -153.46 15.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -63.21 175.12 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -76.62 93.83 3.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.02 39.1 0.98 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 38.4 m95 -139.92 144.7 37.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.752 0.31 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.495 ' CZ3' ' HB2' ' A' ' 58' ' ' SER . 33.5 m0 -129.03 170.41 13.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.447 ' HB2' ' CZ3' ' A' ' 55' ' ' TRP . 75.2 tttt -123.67 125.92 45.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.905 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.14 -155.3 6.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.425 ' HG3' ' CG1' ' A' ' 53' ' ' ILE . 18.8 tt0 -159.15 137.25 10.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.947 0.403 . . . . 0.0 110.902 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -161.58 138.03 8.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.4 t30 60.26 31.48 20.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.32 34.4 80.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.535 ' O ' HD11 ' A' ' 24' ' ' LEU . 42.9 mtt85 -134.8 119.85 18.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.425 ' CG1' ' HG3' ' A' ' 48' ' ' GLU . 49.3 mt -110.08 141.05 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 167.78 -170.89 42.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.447 ' CZ3' ' HB2' ' A' ' 46' ' ' LYS . 73.1 m95 -91.52 152.07 20.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.634 ' HB2' HD11 ' A' ' 26' ' ' LEU . 13.3 p90 -161.08 144.67 9.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.646 0.736 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 121.52 8.2 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.731 2.287 . . . . 0.0 112.328 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.495 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 92.0 p -60.94 -23.76 65.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.8 p -64.45 -38.85 92.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.481 ' CD2' ' HB2' ' A' ' 16' ' ' PHE . 10.0 m-85 -66.28 -16.42 64.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 m -120.29 179.59 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -136.86 128.66 29.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -73.26 127.17 31.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -97.18 155.66 16.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -151.91 86.7 0.14 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.717 ' O ' HD13 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -39.06 -42.04 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.77 0.319 . . . . 0.0 111.125 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.48 ' N ' ' CG2' ' A' ' 66' ' ' ILE . 28.8 tt0 -142.47 134.46 27.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.2 p -119.35 124.11 45.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.2 -84.74 0.37 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.543 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 141.64 45.64 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.735 2.29 . . . . 0.0 112.339 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.2 t -91.98 105.14 17.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.4 t -110.41 138.5 46.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 m -116.47 -47.98 2.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.909 0.385 . . . . 0.0 110.849 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m 40.88 43.72 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.76 -158.35 12.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -79.31 84.78 5.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 m -61.15 114.59 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.452 ' O ' HG23 ' A' ' 9' ' ' THR . . . -155.1 154.09 25.27 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 39.92 64.07 1.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.53 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 7' ' ' GLY . 81.7 p -124.3 146.98 48.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.773 0.32 . . . . 0.0 111.147 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.44 161.18 30.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p -120.98 136.89 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.167 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.44 112.76 6.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.568 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 15.4 mmt180 -87.65 -7.66 57.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 47.0 m-85 -154.31 145.41 22.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.96 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -69.74 138.78 53.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CD1' ' N ' ' A' ' 17' ' ' ALA . 3.1 t80 -136.09 133.8 37.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.436 ' N ' ' CD1' ' A' ' 16' ' ' PHE . . . -101.24 99.51 9.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.8 121.62 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -64.81 -41.05 96.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -137.56 172.97 12.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.9 mmt -59.53 -46.68 88.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -43.08 -43.16 4.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -77.32 -179.95 6.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 55' ' ' TRP . 15.0 tp -137.28 123.06 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.5 p -68.01 149.09 50.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.451 HD13 ' CG1' ' A' ' 61' ' ' VAL . 89.7 mt -124.68 134.94 52.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.7 ttt85 -117.71 139.28 51.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -45.15 113.46 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.76 -36.25 4.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.53 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -46.46 117.8 1.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.873 0.368 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.4 t -92.1 109.53 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.835 HG11 ' CE2' ' A' ' 56' ' ' PHE . 3.3 t -93.64 140.57 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.437 ' HG2' HG22 ' A' ' 9' ' ' THR . 53.3 mtm180 -101.86 103.22 13.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.2 mt -61.55 106.15 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -84.48 -56.3 3.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -123.52 145.76 48.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 37' ' ' ARG . 9.0 mtp-105 -106.57 -38.91 6.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.3 pt -93.76 141.93 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 132.84 -39.22 1.77 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.39 -169.46 40.48 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.32 169.17 4.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.823 0.344 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -72.74 89.84 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.52 25.55 1.58 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -140.41 148.7 41.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.699 0.285 . . . . 0.0 110.96 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -128.59 177.66 6.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -130.8 107.47 9.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.81 -142.28 5.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -170.46 141.88 2.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -158.04 133.12 8.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 60.73 37.37 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.8 37.24 93.2 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -134.5 126.35 29.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.2 mp -116.04 136.55 52.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.47 179.94 42.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.423 ' O ' ' N ' ' A' ' 24' ' ' LEU . 57.5 m95 -85.8 129.51 34.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.773 0.321 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.835 ' CE2' HG11 ' A' ' 32' ' ' VAL . 15.9 p90 -133.81 151.68 77.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 122.1 8.78 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.718 2.279 . . . . 0.0 112.348 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.5 p -76.22 -3.61 37.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 p -90.85 -6.47 54.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -104.39 -6.91 20.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.451 ' CG1' HD13 ' A' ' 26' ' ' LEU . 11.1 m -117.91 169.34 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -124.22 123.59 40.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -69.44 98.99 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -97.17 149.56 21.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.57 -89.02 0.1 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.497 HD12 ' N ' ' A' ' 67' ' ' GLN . 0.7 OUTLIER -94.67 125.23 47.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 111.144 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.497 ' N ' HD12 ' A' ' 66' ' ' ILE . 29.5 mt-30 -123.69 138.31 54.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.7 m -98.77 120.73 39.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -85.73 146.73 21.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 109.49 2.31 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.8 t -91.97 154.69 18.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.2 m -118.08 134.96 54.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.2 p -122.59 144.55 49.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.751 0.31 . . . . 0.0 111.143 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.496 ' HB1' ' HB ' ' A' ' 61' ' ' VAL . . . -123.27 145.89 48.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.079 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 11' ' ' VAL . 7.3 p -114.58 118.85 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.72 103.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.082 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -79.82 -5.02 54.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -146.4 136.88 23.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 -62.29 132.57 53.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -139.38 117.75 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.22 122.4 35.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.98 129.74 40.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -90.99 -42.44 10.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -97.34 140.31 31.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -22.21 4.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -74.73 -40.7 61.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -64.97 166.94 8.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.8 tp -119.62 129.02 54.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.6 m -68.3 136.32 53.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.587 HD21 HG21 ' A' ' 32' ' ' VAL . 11.8 mt -119.4 136.08 54.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.402 ' HB3' ' CG ' ' A' ' 30' ' ' ASP . 44.8 ttt180 -121.62 139.37 53.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -47.97 106.27 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.09 19.19 15.26 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.455 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.402 ' CG ' ' HB3' ' A' ' 27' ' ' ARG . 8.7 m-20 -101.88 112.66 25.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.842 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.8 t -73.87 143.56 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.587 HG21 HD21 ' A' ' 26' ' ' LEU . 3.2 t -137.01 130.98 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.44 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 2.4 mpt_? -85.01 145.87 27.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 79.7 mt -98.88 102.62 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -84.41 -57.18 3.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -124.57 132.81 53.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.806 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -84.37 -35.39 23.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.841 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.5 pt -132.31 145.98 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.41 -44.64 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.493 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -119.32 -83.0 0.81 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.517 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.3 141.61 44.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.309 . . . . 0.0 110.856 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.19 139.88 56.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.62 -57.78 1.91 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -57.1 142.92 40.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.476 ' CE3' ' HB2' ' A' ' 58' ' ' SER . 37.5 m0 -127.34 152.31 47.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.8 tttm -101.89 114.42 28.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.44 ' CA ' ' O ' ' A' ' 33' ' ' ARG . . . -129.44 -153.38 7.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.506 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -168.33 134.98 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.386 . . . . 0.0 110.931 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -164.29 145.93 8.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 57.96 27.61 14.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.37 31.09 68.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -129.36 137.85 51.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mp -128.02 138.97 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 176.42 -155.69 19.44 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.459 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -108.71 122.75 47.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -130.46 143.98 51.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 149.48 67.5 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.715 2.277 . . . . 0.0 112.347 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.476 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.3 t -94.21 -14.13 25.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.0 p -77.46 -24.48 50.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -85.18 -11.09 55.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.496 ' HB ' ' HB1' ' A' ' 10' ' ' ALA . 35.0 m -114.4 171.41 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -127.76 111.71 13.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -58.6 107.98 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 -179.917 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.1 p -131.52 140.71 49.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 111.076 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.57 159.44 27.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 p -121.49 131.42 73.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.01 110.19 5.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.08 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -82.8 -7.56 59.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -152.68 148.83 27.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -73.32 134.58 44.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 17' ' ' ALA . 14.4 t80 -122.93 153.59 39.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.426 ' N ' ' CD1' ' A' ' 16' ' ' PHE . . . -118.7 103.88 10.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.081 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.97 105.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.067 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -43.92 -39.47 4.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -152.59 170.61 19.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.3 tpp -39.52 -54.39 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -39.05 -58.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.16 167.32 5.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.456 HD23 ' CD1' ' A' ' 56' ' ' PHE . 4.1 tp -126.95 118.66 24.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.0 p -70.07 146.0 51.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 mt -127.28 143.61 51.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -119.49 134.22 55.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -39.79 103.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.48 7.97 29.35 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.506 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -87.08 119.01 26.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.0 t -86.33 121.78 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.071 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.684 HG11 ' CE1' ' A' ' 56' ' ' PHE . 20.7 t -107.94 142.2 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.9 mtt-85 -101.32 102.75 13.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.0 mt -62.83 105.99 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -92.53 -53.18 4.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.6 m -116.76 146.21 42.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.3 mtm-85 -107.42 -44.88 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.3 pt -70.14 147.79 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.82 142.4 11.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.506 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.77 -139.66 11.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -119.75 46.14 2.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.763 0.316 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 57.58 26.72 13.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 176.52 34.3 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.452 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.436 ' CZ3' ' HD3' ' A' ' 57' ' ' PRO . 24.3 m95 -137.05 153.76 50.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.8 0.334 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 26.9 m0 -134.73 162.34 32.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -111.26 113.09 25.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -132.82 -156.95 8.32 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.435 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -157.26 141.46 16.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.94 0.4 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.608 HG23 ' ND2' ' A' ' 50' ' ' ASN . 13.9 t -166.08 148.9 7.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.17 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.608 ' ND2' HG23 ' A' ' 49' ' ' THR . 17.0 p30 48.13 28.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.17 30.39 60.98 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.8 mtt-85 -128.4 126.96 41.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.3 mt -123.6 136.33 60.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 173.23 -158.51 28.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -100.66 119.53 38.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.684 ' CE1' HG11 ' A' ' 32' ' ' VAL . 29.7 p90 -127.37 144.38 50.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.65 0.738 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.436 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 53.9 Cg_endo -69.74 143.68 51.69 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.1 p -83.67 -22.22 32.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.2 t -68.18 -23.89 64.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -83.18 -18.76 38.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 m -117.85 164.96 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -128.77 134.28 48.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -82.99 105.27 13.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.917 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.9 p -134.62 153.82 51.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.814 0.34 . . . . 0.0 111.161 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.31 163.87 27.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.429 HG23 ' HG3' ' A' ' 64' ' ' GLU . 63.4 t -122.45 134.06 66.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' A' ' 27' ' ' ARG . . . -65.61 115.79 6.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.463 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 4.7 mmp_? -91.12 -22.47 20.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.41 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 27.8 m-85 -150.13 145.0 26.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -61.2 143.17 56.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -152.78 127.28 9.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.51 125.1 46.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.13 134.49 57.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 70.8 mtp85 -73.69 -43.36 59.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -132.25 162.99 29.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.31 -20.92 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -70.95 -47.42 59.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 1.1 mp0 -70.1 163.62 25.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.407 ' CD1' ' HB3' ' A' ' 52' ' ' ARG . 17.0 tp -119.78 132.81 55.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.0 t -70.26 157.39 37.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' A' ' 56' ' ' PHE . 64.0 mt -142.8 135.46 27.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.663 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 37.2 ttp180 -122.15 147.53 46.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -49.83 102.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.94 -34.85 4.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -46.41 117.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.2 t -91.35 111.08 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.469 HG21 ' CD2' ' A' ' 26' ' ' LEU . 7.6 t -96.68 145.68 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -101.75 104.76 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.8 mt -61.46 101.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -82.76 -54.3 5.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -131.97 144.79 51.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.471 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 38.3 mtp180 -94.99 -42.15 8.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.401 HD12 ' C ' ' A' ' 38' ' ' ILE . 2.8 pp -73.12 170.06 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.63 -98.94 0.6 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.25 -175.86 8.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -44.42 153.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.753 0.311 . . . . 0.0 110.847 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -51.88 104.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 130.52 -42.99 1.34 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.419 ' CZ3' ' HD3' ' A' ' 57' ' ' PRO . 67.6 m95 -66.54 130.54 43.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.745 0.307 . . . . 0.0 110.971 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.471 ' CD1' ' HA ' ' A' ' 37' ' ' ARG . 17.1 m0 -117.35 -176.66 3.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -133.0 117.73 17.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -138.57 -159.38 8.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.489 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -155.52 143.72 20.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.389 . . . . 0.0 110.844 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.0 t -168.92 148.82 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 48.83 31.8 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.61 29.44 71.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 32.3 mmt180 -126.88 124.9 40.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.755 0.312 . . . . 0.0 110.894 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.3 mt -118.0 152.06 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.64 -163.43 31.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.519 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -98.35 122.18 41.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.518 ' HB2' HD11 ' A' ' 26' ' ' LEU . 26.6 p90 -125.49 145.85 52.54 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.643 0.735 . . . . 0.0 110.838 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.419 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 53.6 Cg_endo -69.81 167.99 22.91 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.254 . . . . 0.0 112.307 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.447 ' HB3' ' CZ3' ' A' ' 45' ' ' TRP . 42.3 p -107.62 -21.29 12.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 82.1 p -72.08 -24.29 61.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -85.93 -19.88 29.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.426 ' CG1' HD13 ' A' ' 26' ' ' LEU . 4.8 m -118.88 163.3 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -117.06 129.13 55.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -74.94 107.51 7.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.429 ' HG3' HG23 ' A' ' 11' ' ' VAL . 18.8 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.5 p -137.16 150.75 48.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 111.19 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.33 166.56 16.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.3 p -124.99 128.88 73.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.34 107.24 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.418 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 2.8 mmp_? -83.32 -5.68 59.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -152.75 156.0 38.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -75.31 117.26 16.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -125.97 140.22 52.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.73 142.07 47.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.28 97.27 4.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -48.58 -41.36 30.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -116.66 -175.01 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 20.1 ptt? -80.02 -35.29 37.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.427 ' N ' ' HG3' ' A' ' 21' ' ' MET . 12.8 ptm180 -69.9 -7.47 40.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -93.78 163.32 13.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' A' ' 52' ' ' ARG . 63.9 tp -119.8 119.45 33.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.967 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.2 m -71.53 137.32 48.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 mt -121.52 139.73 53.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 27' ' ' ARG . 17.8 ttp-105 -118.32 138.26 52.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -38.7 104.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.16 18.11 20.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -91.0 115.71 28.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 0.0 110.824 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.2 t -80.67 125.83 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.7 t -114.07 146.32 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.4 mtt85 -103.28 104.37 14.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 55.3 mt -64.01 100.98 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -81.42 -46.25 14.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -130.89 107.91 9.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.574 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 28.5 ttt180 -68.0 -28.27 67.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.5 mt -108.64 128.22 64.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -152.94 -127.95 1.28 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.72 -95.21 0.95 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.469 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.54 ' CB ' ' CD1' ' A' ' 44' ' ' TRP . 74.1 m-20 -38.15 149.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -85.24 45.75 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.914 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.97 31.49 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.54 ' CD1' ' CB ' ' A' ' 41' ' ' ASP . 33.4 m95 -128.97 159.27 36.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.741 0.305 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.574 ' CD1' ' HA ' ' A' ' 37' ' ' ARG . 24.2 m0 -141.27 160.59 39.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -107.32 116.22 31.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.98 -160.66 9.36 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.448 ' OE2' HD11 ' A' ' 53' ' ' ILE . 41.0 tt0 -164.03 143.76 8.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.952 0.406 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.4 t -168.4 145.45 3.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.3 m120 53.93 32.62 15.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.49 36.48 77.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.438 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 31.7 mmt180 -133.81 119.01 18.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 110.878 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.448 HD11 ' OE2' ' A' ' 48' ' ' GLU . 19.4 mt -115.47 144.22 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.49 -154.64 25.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 91.9 m95 -100.69 130.52 46.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -130.55 144.77 54.69 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.667 0.746 . . . . 0.0 110.864 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 120.01 6.87 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.658 2.239 . . . . 0.0 112.376 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.3 p -74.36 -3.96 33.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.6 p -88.24 -34.55 17.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -78.28 -0.95 30.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.8 m -119.75 177.86 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -138.81 109.86 6.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -56.35 112.31 1.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.944 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.1 p -142.85 137.91 29.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.764 0.316 . . . . 0.0 111.164 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.32 171.8 7.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 p -134.6 132.53 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 27' ' ' ARG . . . -66.81 115.19 6.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.111 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -92.23 -12.58 32.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -148.57 147.76 29.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -71.49 133.05 45.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -140.06 136.29 33.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.01 123.52 47.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.87 124.53 23.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . 2.6 ptm85 -75.69 -44.99 39.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -108.24 165.12 11.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 29.7 ttm -61.23 -51.95 66.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -45.65 -42.54 11.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -60.55 166.76 2.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.433 ' CD1' ' HB3' ' A' ' 52' ' ' ARG . 43.3 tp -129.16 131.38 47.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.4 p -68.17 139.8 56.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.5 mt -120.57 127.31 52.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.539 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 18.5 ttm-85 -120.42 139.49 52.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -47.22 103.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.92 -34.87 4.54 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -51.55 108.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.8 t -75.53 139.1 19.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.642 HG11 ' CE1' ' A' ' 56' ' ' PHE . 5.8 t -129.22 145.35 35.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.433 ' HG2' ' CE1' ' A' ' 35' ' ' TYR . 45.8 ttt180 -108.94 109.21 20.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.7 mt -65.14 101.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.433 ' CE1' ' HG2' ' A' ' 33' ' ' ARG . 21.8 m-85 -81.61 -59.5 2.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.7 t -108.15 140.67 41.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -93.67 -36.04 12.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.506 HD12 ' C ' ' A' ' 38' ' ' ILE . 2.6 pp -120.77 154.32 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 154.91 -51.5 0.46 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.01 -120.08 1.53 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' GLY . 6.3 t70 -79.16 46.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.772 0.32 . . . . 0.0 110.93 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 41' ' ' ASP . 2.6 tp-100 36.08 32.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -152.81 -53.04 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.559 ' CZ3' ' HD3' ' A' ' 57' ' ' PRO . 14.1 m95 -57.83 161.48 3.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.32 . . . . 0.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 40.9 m0 -123.39 153.01 40.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -110.54 120.45 42.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -131.94 -152.02 7.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -166.78 120.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 0.0 110.933 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.424 HG22 HD21 ' A' ' 24' ' ' LEU . 13.8 t -141.45 143.85 34.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 56.21 27.82 12.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.16 38.98 58.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.455 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 26.0 mmt-85 -135.81 122.5 20.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.907 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mp -105.01 136.98 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.14 172.42 38.01 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -87.01 129.13 35.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.809 0.338 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.642 ' CE1' HG11 ' A' ' 32' ' ' VAL . 36.1 p90 -132.8 152.01 79.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.604 0.716 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.559 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 53.5 Cg_endo -69.78 152.24 69.16 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.652 2.235 . . . . 0.0 112.364 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.3 p -93.67 -17.71 22.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -73.81 -41.32 62.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -66.28 -15.91 63.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 18.7 m -114.45 178.54 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -135.59 118.25 16.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -71.69 109.34 5.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.2 p -133.9 145.43 49.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 111.155 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.71 168.94 11.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.7 t -133.77 125.14 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.092 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.2 103.26 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.478 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 14.6 mmm180 -85.11 -0.35 54.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.478 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 42.3 m-85 -157.62 149.5 22.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -70.68 128.5 36.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -134.04 130.87 38.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.23 122.1 40.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.415 ' HB2' ' N ' ' A' ' 25' ' ' SER . . . -54.94 108.39 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.127 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -48.28 -53.35 17.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -122.65 170.12 10.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 29.3 mtt -56.19 -39.28 72.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -57.36 -48.76 78.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -54.6 -177.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.7 tp -136.64 121.24 18.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.415 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 37.1 m -68.88 132.01 46.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 56' ' ' PHE . 38.3 mt -113.5 140.94 47.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.407 ' HB3' ' CG ' ' A' ' 30' ' ' ASP . 9.3 tpt180 -122.11 138.54 54.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -43.65 105.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.58 14.26 25.95 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.407 ' CG ' ' HB3' ' A' ' 27' ' ' ARG . 13.5 m-20 -92.46 112.98 25.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.854 0.359 . . . . 0.0 110.858 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 36.6 t -78.52 128.27 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.452 HG11 ' CE1' ' A' ' 56' ' ' PHE . 22.5 t -121.43 137.66 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -96.94 105.15 17.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.4 mt -58.19 110.7 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -99.42 -54.33 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.407 ' OG ' ' CB ' ' A' ' 46' ' ' LYS . 92.8 p -113.54 144.01 43.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.887 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.512 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 14.8 mmt85 -106.58 -40.81 5.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 pt -109.45 160.84 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 141.93 -42.34 1.15 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.06 -126.28 3.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -82.69 155.13 24.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.748 0.309 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -59.36 110.73 1.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.45 -59.33 0.5 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -47.18 142.58 3.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.74 0.305 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' A' ' 58' ' ' SER . 19.6 m0 -135.72 168.26 19.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.935 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.407 ' CB ' ' OG ' ' A' ' 36' ' ' SER . 28.6 tttp -113.15 125.3 54.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.11 -152.52 5.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -160.6 141.0 11.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 110.91 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -163.13 154.43 17.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 44.77 30.35 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.23 34.49 64.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -133.52 123.39 25.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.787 0.327 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.8 mt -110.65 135.15 50.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 173.05 -175.19 46.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -86.56 124.24 32.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.452 ' CE1' HG11 ' A' ' 32' ' ' VAL . 28.2 p90 -126.2 150.39 69.62 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.655 0.741 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 158.21 57.72 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.326 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.537 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 82.7 p -105.32 -12.52 16.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.0 t -86.09 -30.42 22.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -80.71 -3.63 51.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.0 m -123.02 179.62 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -137.43 115.83 11.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -65.14 102.34 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.911 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 33' ' ' ARG . 72.6 p -133.09 156.22 47.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 111.128 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.11 163.07 16.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.056 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.5 t -121.94 122.37 66.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.44 103.4 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 4.4 mmp_? -80.76 -19.7 44.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -140.91 156.86 46.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -80.99 121.38 25.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -124.82 146.82 49.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.48 120.95 40.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.54 98.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -44.03 -40.18 4.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -131.34 162.6 29.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.7 mtp -52.25 -48.88 64.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -45.55 -41.79 10.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.48 172.42 9.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.9 tp -123.65 134.19 53.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.485 ' O ' HD23 ' A' ' 26' ' ' LEU . 24.7 t -73.95 148.34 42.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.529 HD11 ' HB2' ' A' ' 56' ' ' PHE . 83.4 mt -135.26 130.67 35.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.3 ttp85 -118.48 137.88 52.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -42.12 107.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.28 11.53 33.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -90.07 108.9 20.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.2 t -76.34 122.25 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.178 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.9 t -112.37 143.75 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.403 ' HA ' HG22 ' A' ' 9' ' ' THR . 23.3 ttt180 -104.71 104.01 13.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 86.0 mt -60.49 101.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -85.95 -53.73 4.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 m -117.44 128.67 55.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -97.09 -50.56 4.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.3 mt -76.52 110.33 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 163.18 -142.64 8.01 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 38.18 -158.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.05 59.81 3.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.712 0.291 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 53.7 50.22 17.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.2 -57.08 0.21 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.48 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -47.04 157.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.727 0.298 . . . . 0.0 110.918 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -129.95 172.71 11.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -127.25 114.12 17.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -124.45 -152.17 8.28 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -158.89 132.14 7.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.93 0.395 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.3 t -159.87 143.8 14.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 54.8 30.59 13.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.47 32.77 67.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -133.6 136.48 44.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.772 0.32 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.0 mp -127.62 134.22 65.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.118 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 177.33 -171.14 43.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -86.73 117.83 25.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.795 0.331 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.529 ' HB2' HD11 ' A' ' 26' ' ' LEU . 20.2 p90 -122.57 148.96 54.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.701 0.763 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 147.25 62.71 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.73 2.287 . . . . 0.0 112.344 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.412 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 92.4 p -94.57 -10.85 30.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.892 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 61.4 p -84.58 -41.17 16.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.09 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -72.48 -3.51 24.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.412 ' CG2' ' HA ' ' A' ' 58' ' ' SER . 16.1 m -119.24 165.75 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -115.15 116.09 27.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -79.7 96.81 6.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.902 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.6 p -134.39 155.5 50.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.321 . . . . 0.0 111.183 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.07 171.69 8.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.9 t -134.56 126.64 48.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 27' ' ' ARG . . . -58.57 103.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.473 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 3.3 mmp_? -77.69 -26.45 50.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -136.88 161.19 36.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -83.99 118.82 24.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -126.88 134.34 50.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.03 116.05 31.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.055 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.2 108.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -54.82 -44.83 74.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.88 167.45 12.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.8 tpp -58.85 -55.05 40.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 86.4 mtt-85 -41.73 -43.39 2.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.73 173.21 2.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.6 tp -125.08 135.96 53.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.7 p -73.84 135.99 43.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.4 HD21 HG21 ' A' ' 32' ' ' VAL . 87.1 mt -119.6 127.93 53.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.401 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 25.6 ttt180 -120.24 135.48 54.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -42.18 111.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.39 -39.03 2.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.443 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -48.28 121.28 4.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.0 t -93.57 109.75 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.678 HG11 ' CE1' ' A' ' 56' ' ' PHE . 5.5 t -93.69 143.15 12.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.113 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -102.89 103.28 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.2 mt -63.3 102.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -82.65 -59.01 2.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -121.58 131.47 54.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -93.1 -47.15 7.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.1 mt -93.6 129.64 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -176.93 -76.6 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.7 -134.01 6.8 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.456 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . 80.6 m-20 -50.27 135.1 22.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.737 0.303 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -50.02 147.86 3.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.3 -54.9 3.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.456 ' CD1' ' HB2' ' A' ' 41' ' ' ASP . 93.7 m95 -46.7 118.29 1.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.761 0.315 . . . . 0.0 110.91 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 38.8 m0 -109.07 168.34 9.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -124.33 111.39 15.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -128.93 -145.8 6.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.501 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -174.37 130.47 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 t -157.1 139.12 14.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.163 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 61.49 32.51 18.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.42 32.92 80.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -130.72 124.86 32.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.807 0.337 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.0 mt -119.61 140.99 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 176.12 -151.89 12.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 85.3 m95 -115.47 118.16 32.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.809 0.338 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.678 ' CE1' HG11 ' A' ' 32' ' ' VAL . 27.1 p90 -126.4 144.04 48.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.648 0.737 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 171.88 13.7 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.352 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.598 ' HA ' HG22 ' A' ' 61' ' ' VAL . 87.9 p -104.04 -34.05 8.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.3 p -59.51 -18.42 40.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -93.83 -14.81 25.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.598 HG22 ' HA ' ' A' ' 58' ' ' SER . 34.0 m -120.61 160.24 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -121.93 117.7 27.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -68.1 88.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.487 HG22 ' HA ' ' A' ' 33' ' ' ARG . 79.1 p -123.92 169.82 11.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.8 0.333 . . . . 0.0 111.152 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -142.46 158.1 44.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 p -114.1 128.37 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.51 103.13 2.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.415 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 23.1 mmm180 -73.15 -17.02 61.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 26.5 m-85 -143.72 158.16 43.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.24 149.66 28.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 18' ' ' ALA . 20.3 t80 -140.38 153.33 46.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.91 106.56 11.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 16' ' ' PHE . . . -54.78 102.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 45.4 mmm-85 -56.97 -34.55 68.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -132.75 152.4 51.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.2 ttp -42.98 -47.54 5.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -45.58 -53.43 9.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -59.58 162.72 4.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.409 ' CD1' ' HB3' ' A' ' 52' ' ' ARG . 40.8 tp -119.66 127.5 52.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.9 p -71.86 138.7 48.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.686 HD11 ' HB2' ' A' ' 56' ' ' PHE . 69.0 mt -122.42 142.65 50.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.4 ' HB3' ' CG ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -122.65 137.4 54.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -46.54 106.28 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.62 13.58 25.64 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.4 ' CG ' ' HB3' ' A' ' 27' ' ' ARG . 40.2 m-20 -95.67 120.09 35.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.838 0.351 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.0 t -83.0 132.3 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.462 HG11 ' CE1' ' A' ' 56' ' ' PHE . 40.5 t -119.7 137.32 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.487 ' HA ' HG22 ' A' ' 9' ' ' THR . 11.1 tpp85 -97.55 101.56 13.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 55.3 mt -59.24 101.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -81.42 -57.57 3.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -125.0 150.86 46.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -102.45 -37.83 7.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.0 pt -82.83 166.08 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.54 -105.75 0.67 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.89 -81.34 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.482 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . 37.4 m-20 -126.18 141.45 51.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.726 0.298 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 41' ' ' ASP . 3.1 tp60 -36.37 -53.07 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.26 -52.06 14.98 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.482 ' CD1' ' HB2' ' A' ' 41' ' ' ASP . 26.6 m95 -51.07 143.56 10.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 0.0 110.921 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 24.3 m0 -131.76 169.83 15.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.478 ' HB2' ' CZ3' ' A' ' 55' ' ' TRP . 25.2 tttt -119.73 113.98 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.438 ' HA3' HG12 ' A' ' 32' ' ' VAL . . . -125.24 -155.23 8.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -158.04 138.84 13.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.933 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.0 t -169.55 134.2 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.201 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 65.05 37.45 6.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.76 34.88 90.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.409 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 41.3 mtp180 -134.32 132.96 40.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.805 0.336 . . . . 0.0 110.817 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.4 mp -125.74 122.77 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.149 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.94 -173.84 38.36 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.513 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.478 ' CZ3' ' HB2' ' A' ' 46' ' ' LYS . 71.7 m95 -89.76 120.02 30.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.931 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.686 ' HB2' HD11 ' A' ' 26' ' ' LEU . 20.2 p90 -122.33 145.03 43.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.7 0.762 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 135.49 30.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.338 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.54 ' HA ' HG22 ' A' ' 61' ' ' VAL . 67.1 p -78.57 -13.11 59.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.5 p -75.8 -29.26 58.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -85.73 -2.0 57.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 58' ' ' SER . 11.7 m -128.89 162.31 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -126.39 125.68 42.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -66.8 118.35 10.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.1 p -135.63 142.87 45.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.739 0.304 . . . . 0.0 111.159 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.88 147.66 47.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -114.03 140.87 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.585 ' HA ' HG12 ' A' ' 61' ' ' VAL . . . -67.6 107.74 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -81.25 -24.09 37.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -138.15 144.35 40.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -65.02 120.13 12.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.495 ' HB2' ' CD2' ' A' ' 60' ' ' TYR . 8.3 t80 -130.22 120.72 24.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.12 113.23 24.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.485 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -50.16 129.13 20.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -74.36 -46.73 38.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -113.98 160.1 19.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 31.4 mtt -53.42 -46.68 69.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -48.83 -45.58 40.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.583 ' OE1' ' CZ3' ' A' ' 44' ' ' TRP . 54.1 mm-40 -62.86 165.76 6.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.44 HD21 HG22 ' A' ' 49' ' ' THR . 22.9 tp -121.37 126.91 50.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 92.2 p -68.42 134.69 50.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.402 HD11 ' HB2' ' A' ' 56' ' ' PHE . 67.6 mt -113.87 131.51 56.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -120.43 133.98 55.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -40.85 103.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.48 -43.15 1.62 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -45.81 119.98 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.8 t -93.17 126.57 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.408 HG12 ' HA3' ' A' ' 47' ' ' GLY . 4.1 t -111.44 142.9 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -107.85 102.14 11.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.4 mt -54.98 107.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -88.61 -48.52 7.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -123.93 128.72 49.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.0 mtm180 -80.03 -52.22 8.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 37.9 mm -106.45 134.65 47.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -167.91 -83.29 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.16 -130.68 3.49 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.515 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -55.2 173.34 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.728 0.299 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -87.94 133.41 33.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.85 32.56 20.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.583 ' CZ3' ' OE1' ' A' ' 23' ' ' GLU . 62.0 m95 -140.05 137.9 34.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.721 0.296 . . . . 0.0 110.889 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.563 ' CZ3' ' HB2' ' A' ' 58' ' ' SER . 29.9 m0 -118.28 174.43 6.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.0 tttp -134.98 113.56 11.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.408 ' HA3' HG12 ' A' ' 32' ' ' VAL . . . -130.89 -146.34 5.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -157.84 131.15 7.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.942 0.401 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.44 HG22 HD21 ' A' ' 24' ' ' LEU . 14.4 t -153.09 128.34 9.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.105 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 61.84 35.72 16.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.92 33.61 80.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -131.87 123.18 26.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.335 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.59 139.71 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.6 -177.06 41.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.483 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 43.7 m95 -85.27 121.12 27.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.848 0.356 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.402 ' HB2' HD11 ' A' ' 26' ' ' LEU . 8.7 p90 -121.66 150.21 54.7 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.69 0.757 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 130.62 19.62 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.563 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 60.3 p -84.76 -3.59 58.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.687 HG23 ' HD1' ' A' ' 60' ' ' TYR . 1.9 t -93.32 -13.4 28.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.127 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.687 ' HD1' HG23 ' A' ' 59' ' ' THR . 7.8 m-85 -100.26 -6.61 25.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.585 HG12 ' HA ' ' A' ' 12' ' ' ALA . 28.5 m -117.41 165.67 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -121.41 123.32 41.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.507 ' OE2' ' CH2' ' A' ' 45' ' ' TRP . 29.9 mt-10 -78.42 97.17 5.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.888 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.507 ' O ' HG23 ' A' ' 9' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 8' ' ' GLY . 56.6 p -160.49 148.89 16.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 0.0 111.105 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.511 ' HB1' ' HB ' ' A' ' 61' ' ' VAL . . . -129.06 138.0 51.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.804 HG22 HG22 ' A' ' 31' ' ' VAL . 88.4 t -100.92 134.19 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 27' ' ' ARG . . . -66.13 101.06 0.66 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.054 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -78.82 -14.47 59.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -141.93 154.04 44.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.417 ' CG ' ' O ' ' A' ' 15' ' ' ASN . 2.2 p30 -83.2 111.69 19.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -119.35 137.09 53.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.0 119.41 38.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.25 97.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -43.97 -51.56 7.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -118.02 174.63 6.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 22' ' ' ARG . 4.2 ppp? -60.44 -45.17 94.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 22' ' ' ARG . 25.8 mtm105 -49.55 -47.55 49.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -62.86 166.03 6.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.4 tp -120.46 128.63 53.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.7 m -68.2 123.86 21.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.841 HD11 ' HB2' ' A' ' 56' ' ' PHE . 65.9 mt -112.1 131.42 55.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.436 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 12.1 tpp180 -122.33 140.32 52.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -46.38 102.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 123.75 -36.52 2.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -53.07 125.15 16.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.811 0.338 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.804 HG22 HG22 ' A' ' 11' ' ' VAL . 98.6 t -98.86 110.4 26.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.626 HG11 ' CE1' ' A' ' 56' ' ' PHE . 2.7 t -90.37 135.48 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.087 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -96.76 102.35 14.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.4 mt -58.99 116.69 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -99.38 -55.74 2.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -123.2 137.04 54.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.426 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 68.5 mtt180 -89.02 -36.46 15.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.828 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 51.0 mt -92.0 119.81 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.456 ' C ' ' CZ3' ' A' ' 55' ' ' TRP . . . 139.24 149.31 5.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.0 -100.66 2.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -138.97 172.64 12.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.733 0.302 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -64.85 100.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.56 30.84 7.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.457 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.42 ' CH2' ' HD3' ' A' ' 57' ' ' PRO . 12.3 m95 -129.01 143.88 51.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.732 0.301 . . . . 0.0 110.943 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.426 ' CD1' ' HA ' ' A' ' 37' ' ' ARG . 24.1 m0 -122.35 166.01 15.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HB2' ' CZ3' ' A' ' 55' ' ' TRP . 25.5 tttp -116.82 118.81 33.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.12 -142.26 4.38 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 49' ' ' THR . 0.0 OUTLIER -173.25 140.51 0.86 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 0.0 110.869 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 49' ' ' THR . 13.3 t -147.31 122.58 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 63.53 29.44 15.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.23 -1.42 88.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -93.4 121.49 34.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.533 HG22 ' N ' ' A' ' 54' ' ' GLY . 21.6 mt -111.66 159.11 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.533 ' N ' HG22 ' A' ' 53' ' ' ILE . . . 150.05 176.32 23.02 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.453 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.456 ' CZ3' ' C ' ' A' ' 39' ' ' GLY . 69.3 m95 -89.41 125.36 35.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.781 0.324 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.841 ' HB2' HD11 ' A' ' 26' ' ' LEU . 10.4 p90 -129.76 144.0 51.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.657 0.741 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.42 ' HD3' ' CH2' ' A' ' 44' ' ' TRP . 53.7 Cg_endo -69.76 130.91 20.16 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 90.2 p -65.8 -19.94 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.49 -30.94 69.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.491 ' O ' HG13 ' A' ' 61' ' ' VAL . 28.7 m-85 -93.98 33.58 1.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.511 ' HB ' ' HB1' ' A' ' 10' ' ' ALA . 27.5 m -159.64 158.33 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.143 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -121.73 119.35 31.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -70.27 107.98 3.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.914 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.4 p -120.28 134.46 55.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.803 0.335 . . . . 0.0 111.108 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.5 154.1 30.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 88.1 t -115.32 113.15 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.72 110.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -82.14 -17.84 44.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -142.08 162.23 36.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -87.62 145.91 25.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -142.81 123.85 14.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -93.75 100.31 12.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -37.68 97.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.095 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -54.06 -41.76 68.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.35 176.98 4.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.0 mtm -68.18 -51.02 50.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.5 ptp85 -52.99 -47.05 68.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -50.89 160.11 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.447 ' CD1' ' O ' ' A' ' 52' ' ' ARG . 11.3 tp -119.53 121.51 39.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.0 p -71.19 135.61 47.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.626 HD11 ' HB2' ' A' ' 56' ' ' PHE . 32.7 mt -122.03 127.89 50.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -105.91 134.44 49.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -39.2 111.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.09 25.92 17.98 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -99.12 111.47 23.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.3 t -71.19 118.31 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.44 HG21 ' CD2' ' A' ' 26' ' ' LEU . 18.6 t -114.22 131.87 64.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -95.42 108.56 20.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.9 mt -64.2 109.32 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -91.78 -56.57 3.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -119.06 146.52 45.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -107.16 -45.64 4.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 49.8 mm -81.64 120.38 33.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 142.45 141.52 3.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.56 -162.75 54.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.16 154.33 4.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.769 0.318 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -56.51 136.38 54.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.57 -45.73 2.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.408 ' CZ3' ' HD3' ' A' ' 57' ' ' PRO . 17.3 m95 -45.56 147.35 0.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.785 0.326 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -134.35 171.08 14.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -115.41 111.03 20.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.49 -160.92 10.84 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.504 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -155.26 143.22 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.92 0.39 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.4 t -168.3 130.98 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.175 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.439 HD22 ' NE ' ' A' ' 52' ' ' ARG . 37.1 t30 63.31 31.9 15.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.16 35.7 70.84 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.447 ' O ' ' CD1' ' A' ' 24' ' ' LEU . 77.1 mtt180 -131.71 121.8 24.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.9 140.99 40.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.12 -167.22 38.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -90.46 128.42 36.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.796 0.331 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.626 ' HB2' HD11 ' A' ' 26' ' ' LEU . 12.3 p90 -134.79 143.99 48.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.653 0.739 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.408 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 54.0 Cg_endo -69.72 132.99 24.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.9 p -73.87 -29.64 62.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.423 HG23 ' HD1' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -63.96 -16.52 61.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.423 ' HD1' HG23 ' A' ' 59' ' ' THR . 8.5 m-85 -89.66 -19.56 24.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.1 m -118.74 167.3 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -126.93 136.77 52.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -87.28 92.23 9.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.901 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.567 HG22 ' HG2' ' A' ' 33' ' ' ARG . 36.7 p -139.9 150.09 44.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.132 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.02 173.52 11.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.117 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 89.9 t -132.43 124.86 52.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 27' ' ' ARG . . . -59.81 119.64 8.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.07 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.471 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 5.9 mmp_? -94.18 -11.93 29.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -153.65 142.19 20.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -64.77 127.87 33.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -131.58 115.18 15.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.76 108.37 20.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.42 126.43 27.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.08 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -81.21 -44.67 17.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -101.79 160.0 14.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.2 mtm -59.53 -47.96 83.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -45.56 -54.7 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -55.71 174.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.4 tp -136.13 126.69 26.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.3 p -69.99 136.58 50.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.594 HD11 ' HB2' ' A' ' 56' ' ' PHE . 93.2 mt -120.63 140.17 51.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.486 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 7.9 tpp85 -121.38 135.79 55.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -44.49 112.31 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.86 -36.07 4.63 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -46.78 125.3 7.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.8 t -87.67 126.56 41.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.449 HG11 ' CE2' ' A' ' 56' ' ' PHE . 22.2 t -116.84 125.64 73.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.567 ' HG2' HG22 ' A' ' 9' ' ' THR . 75.7 mtt-85 -89.2 105.48 17.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.7 mt -58.97 102.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -77.62 -57.58 3.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -126.02 138.69 53.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.817 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.425 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 16.3 mtm105 -99.56 -41.53 7.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 78.8 mt -72.69 121.45 23.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.116 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.17 152.28 6.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.9 -175.5 17.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -58.65 162.21 4.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.745 0.307 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -58.35 118.55 5.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.62 -49.26 0.88 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.421 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 37.4 m95 -50.15 141.14 11.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.755 0.312 . . . . 0.0 110.932 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.427 ' CH2' ' OE1' ' A' ' 63' ' ' GLU . 22.1 m0 -138.69 171.01 14.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -114.9 121.08 42.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.64 -150.53 5.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.534 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.42 ' OE1' ' C ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -172.17 144.07 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.906 0.384 . . . . 0.0 110.879 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.6 t -172.26 135.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 m120 67.34 29.79 7.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.57 31.61 67.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.5 mtt85 -131.22 131.66 44.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.0 mt -126.57 144.51 36.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.6 -156.27 28.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.445 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -102.22 124.14 47.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.8 0.333 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.594 ' HB2' HD11 ' A' ' 26' ' ' LEU . 23.6 p90 -126.92 144.02 48.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 133.51 25.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.725 2.283 . . . . 0.0 112.36 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.2 t -80.29 -21.24 42.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.74 HG23 ' HD1' ' A' ' 60' ' ' TYR . 5.8 t -73.67 -10.68 59.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.74 ' HD1' HG23 ' A' ' 59' ' ' THR . 6.2 m-85 -100.51 -8.45 23.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.501 ' CG1' HD13 ' A' ' 26' ' ' LEU . 2.5 m -130.01 156.15 42.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -116.01 148.67 39.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.427 ' OE1' ' CH2' ' A' ' 45' ' ' TRP . 28.8 mt-10 -101.13 104.41 15.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.451 HG22 ' HG3' ' A' ' 33' ' ' ARG . 70.1 p -138.58 152.26 48.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 111.155 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.23 171.79 13.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 11' ' ' VAL . 11.7 p -131.26 127.75 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.8 114.8 5.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -88.5 -19.73 26.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -142.04 141.04 32.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -65.13 136.73 57.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.527 ' HB2' ' CD2' ' A' ' 60' ' ' TYR . 6.1 t80 -137.74 128.72 27.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.6 116.63 31.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.03 123.34 16.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.35 -19.93 41.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -138.42 164.39 29.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.4 mtt -62.61 -36.55 83.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.425 ' HG3' ' CD ' ' A' ' 23' ' ' GLU . 12.9 ptp180 -62.15 -33.9 75.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.425 ' CD ' ' HG3' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -73.4 162.83 28.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.5 tp -123.97 128.5 49.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.7 m -69.67 147.05 51.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.1 mt -127.92 134.52 49.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.0 tpt85 -121.75 137.3 54.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -43.69 104.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.7 -39.2 2.69 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -45.48 117.56 1.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.348 . . . . 0.0 110.851 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.3 t -91.78 114.69 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.766 HG11 ' CE2' ' A' ' 56' ' ' PHE . 38.7 t -98.77 141.49 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.451 ' HG3' HG22 ' A' ' 9' ' ' THR . 39.0 ttt180 -98.78 102.67 14.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.2 mt -57.15 118.72 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -107.16 -48.92 3.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 p -112.9 135.89 53.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.889 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -99.38 -38.91 8.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.463 HD12 ' C ' ' A' ' 38' ' ' ILE . 2.7 pp -122.88 166.61 17.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 129.85 -44.87 1.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -96.21 -143.81 15.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.455 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.41 ' HB3' ' CD1' ' A' ' 44' ' ' TRP . 8.8 t70 -69.96 172.28 8.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -78.17 101.81 7.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.12 35.23 2.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.464 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.41 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 46.7 m95 -137.48 138.85 40.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.776 0.322 . . . . 0.0 110.877 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 27.7 m0 -128.33 163.24 25.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -115.76 117.4 30.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.464 ' HA3' HG12 ' A' ' 32' ' ' VAL . . . -126.19 -156.9 9.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -158.88 117.14 2.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.952 0.406 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.2 t -144.61 151.5 39.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 34.6 t30 46.33 35.12 2.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.52 36.74 92.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.442 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -135.78 130.3 33.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.756 0.313 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.3 mt -122.97 141.99 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.39 -173.33 41.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -87.62 120.41 28.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.743 0.306 . . . . 0.0 110.924 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.766 ' CE2' HG11 ' A' ' 32' ' ' VAL . 23.5 p90 -123.0 144.65 43.7 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.619 0.723 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 119.42 6.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.42 ' HA ' HG22 ' A' ' 61' ' ' VAL . 69.1 p -64.71 -33.4 75.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.4 p -59.64 -15.63 20.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.166 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.527 ' CD2' ' HB2' ' A' ' 16' ' ' PHE . 8.1 m-85 -93.9 -19.57 20.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.42 HG22 ' HA ' ' A' ' 58' ' ' SER . 2.9 m -117.43 176.79 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -142.88 135.24 27.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -76.61 94.51 3.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.3 p -119.08 146.1 45.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 0.0 111.128 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.54 153.72 50.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 30' ' ' ASP . 14.9 p -121.15 133.98 66.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.083 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.924 ' HB2' HD12 ' A' ' 26' ' ' LEU . . . -67.11 112.45 4.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.504 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 8.4 mmm180 -85.09 -9.79 57.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.504 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 24.3 m-85 -145.19 145.13 31.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.423 ' ND2' ' H ' ' A' ' 15' ' ' ASN . 3.5 p30 -68.52 151.76 46.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.506 ' CZ ' ' HA ' ' A' ' 18' ' ' ALA . 3.3 t80 -154.15 123.93 6.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.84 96.24 10.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.093 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.506 ' HA ' ' CZ ' ' A' ' 16' ' ' PHE . . . -40.74 116.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.8 mmt-85 -59.35 -38.87 81.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -140.63 175.37 9.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.3 mtt -56.71 -45.98 81.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -48.64 -42.36 34.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -71.1 -177.62 1.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.736 HD23 ' HB3' ' A' ' 56' ' ' PHE . 4.9 tp -143.61 123.61 13.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.4 m -73.19 133.89 44.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.924 HD12 ' HB2' ' A' ' 12' ' ' ALA . 3.2 mm? -110.68 143.48 41.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 29' ' ' GLY . 6.9 ttp85 -123.06 141.34 52.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -53.99 87.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' ARG . . . 135.44 -26.25 3.22 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.559 ' O ' HG23 ' A' ' 11' ' ' VAL . 25.0 m-20 -54.21 142.22 26.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 64.0 t -114.97 110.85 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.833 HG11 ' CE2' ' A' ' 56' ' ' PHE . 5.5 t -94.37 149.23 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.2 mtt-85 -110.2 107.08 16.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.8 mt -59.49 101.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -80.4 -56.53 4.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -123.43 127.8 48.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.3 mtm-85 -88.75 -34.01 17.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.4 mm -88.48 64.69 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -166.32 119.36 0.85 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.28 -168.05 22.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 42' ' ' GLN . 1.7 m-20 -78.23 72.52 4.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.742 0.306 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 41' ' ' ASP . 28.6 tp60 34.75 45.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 174.02 -45.75 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.401 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 25.4 m95 -59.8 159.72 8.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 110.923 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.401 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 32.7 m0 -136.32 169.08 18.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -122.29 120.97 35.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.07 -147.84 4.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.488 ' HG3' HD11 ' A' ' 53' ' ' ILE . 10.5 tm-20 -163.79 137.93 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.954 0.407 . . . . 0.0 110.869 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.4 t -161.77 134.58 6.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 60.72 34.55 19.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.88 36.32 91.98 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.6 mtt-85 -135.95 122.96 21.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.488 HD11 ' HG3' ' A' ' 48' ' ' GLU . 4.0 mp -114.97 142.02 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.68 -175.9 39.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -85.17 120.13 26.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.814 0.34 . . . . 0.0 110.918 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.833 ' CE2' HG11 ' A' ' 32' ' ' VAL . 40.5 p90 -119.73 145.76 40.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.672 0.749 . . . . 0.0 110.837 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 119.29 6.26 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.5 p -66.43 -8.07 23.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.42 -11.21 56.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.169 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -102.0 -5.19 24.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.1 m -121.85 161.02 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 64' ' ' GLU . 3.7 tm-20 -121.46 119.11 31.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.96 82.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' GLU . 85.3 mt-10 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.3 p -138.71 148.99 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 0.0 111.182 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -119.11 161.7 19.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.85 130.63 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 27' ' ' ARG . . . -57.74 102.88 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.436 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 3.8 mmp_? -81.16 -27.92 35.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -140.06 144.88 37.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 41.5 p-10 -63.55 127.15 30.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -137.13 115.46 11.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.27 123.47 31.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.31 115.59 4.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -66.58 -48.97 67.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.829 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -110.9 160.44 16.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.3 ptt? -57.79 -51.13 70.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -46.98 -34.82 5.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -69.38 177.69 2.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 63.9 tp -134.28 125.58 28.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.9 p -68.1 140.25 56.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.512 HD13 ' CG1' ' A' ' 61' ' ' VAL . 44.6 mt -122.48 130.2 52.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.484 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 4.5 tpp85 -121.06 136.33 55.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -39.77 113.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.24 -41.3 2.25 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -45.07 130.34 7.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 78.1 t -100.35 124.85 54.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.7 t -108.23 136.56 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 -94.37 101.66 13.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 83.5 mt -59.59 98.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -81.47 -50.32 9.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.2 m -115.65 152.29 33.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 -115.51 -31.93 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.9 mm -112.97 104.26 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 40' ' ' GLY . . . 169.1 -146.38 10.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.532 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' GLY . . . 34.29 -148.45 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.466 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.439 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . 86.0 m-20 -82.84 -176.94 6.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.729 0.299 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -66.02 99.55 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.04 32.45 8.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.439 ' CD1' ' HB2' ' A' ' 41' ' ' ASP . 24.9 m95 -122.21 150.48 42.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.762 0.315 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.592 ' CZ3' ' HB2' ' A' ' 58' ' ' SER . 23.7 m0 -128.84 169.06 15.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.576 ' HB2' ' CZ3' ' A' ' 55' ' ' TRP . 45.5 tttt -113.7 118.81 35.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -136.73 -152.39 6.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.528 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -172.14 143.47 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 110.914 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.7 t -167.98 132.46 1.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 70.56 38.21 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.66 31.44 80.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -132.08 121.75 24.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.749 0.309 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.0 mt -111.83 129.58 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -175.41 -162.37 26.53 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.576 ' CZ3' ' HB2' ' A' ' 46' ' ' LYS . 75.3 m95 -101.37 131.52 47.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.779 0.323 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -132.51 149.94 74.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.606 0.717 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -176.13 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.349 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.592 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 83.0 p -124.13 -23.01 4.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.0 t -76.9 -27.71 55.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -81.42 -15.77 54.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.512 ' CG1' HD13 ' A' ' 26' ' ' LEU . 3.8 m -119.16 165.34 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.442 ' OE2' ' C ' ' A' ' 63' ' ' GLU . 2.5 tm-20 -115.06 119.88 37.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.442 ' C ' ' OE2' ' A' ' 62' ' ' GLU . 2.4 mp0 -71.2 104.92 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.918 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 48.0 p -147.31 141.15 25.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 111.149 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.28 151.42 50.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.076 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 p -116.39 134.58 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.423 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . . . -67.76 111.5 4.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -90.55 -2.11 57.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -152.2 143.71 23.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -68.43 116.25 8.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -122.11 129.81 52.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.4 125.57 48.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.93 118.05 7.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.21 -29.45 57.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -133.91 159.85 39.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.0 ptp -53.85 -52.15 61.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -48.69 -33.76 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.526 ' OE2' ' CZ3' ' A' ' 44' ' ' TRP . 0.2 OUTLIER -71.96 169.3 16.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.411 HD11 ' CB ' ' A' ' 52' ' ' ARG . 49.8 tp -129.95 129.42 43.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.961 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.2 p -72.24 148.56 45.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.827 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.59 HD11 ' HB2' ' A' ' 56' ' ' PHE . 11.7 mt -135.23 131.88 37.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -117.11 146.56 43.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -49.14 110.39 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.56 -31.82 7.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -51.0 133.46 27.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.2 t -106.02 115.17 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.423 HG12 ' HA3' ' A' ' 47' ' ' GLY . 6.5 t -102.64 125.37 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.415 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 11.0 mpt_? -80.95 129.44 34.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.687 HD12 ' CE3' ' A' ' 45' ' ' TRP . 2.5 mm -81.49 111.12 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -95.38 -53.14 3.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 m -124.47 145.59 49.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.439 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 15.8 mtp180 -102.4 -44.06 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.499 HD12 ' C ' ' A' ' 38' ' ' ILE . 2.3 pp -100.68 167.45 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 147.15 -58.03 0.49 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -113.38 -95.01 2.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 42' ' ' GLN . 10.5 t70 -85.7 166.51 16.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.725 0.298 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.445 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 77.3 mt-30 -86.03 34.49 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.39 -40.66 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.526 ' CZ3' ' OE2' ' A' ' 23' ' ' GLU . 34.4 m95 -64.73 153.44 39.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.902 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.687 ' CE3' HD12 ' A' ' 34' ' ' ILE . 33.3 m0 -132.45 -176.55 4.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -137.27 110.76 7.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.423 ' HA3' HG12 ' A' ' 32' ' ' VAL . . . -129.42 -163.56 11.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.526 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -153.2 125.26 7.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.951 0.405 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 t -149.31 139.56 22.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.167 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.416 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 34.2 t30 60.09 28.71 18.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.57 32.93 64.11 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.531 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.411 ' CB ' HD11 ' A' ' 24' ' ' LEU . 65.2 mtt-85 -132.38 125.96 32.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.784 0.326 . . . . 0.0 110.893 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.4 mt -115.87 137.54 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.44 -174.79 44.44 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.508 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 63.1 m95 -87.45 132.53 33.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.819 0.342 . . . . 0.0 110.915 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.59 ' HB2' HD11 ' A' ' 26' ' ' LEU . 22.5 p90 -135.27 144.14 48.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.664 0.745 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 122.29 8.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.655 2.237 . . . . 0.0 112.396 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.535 ' HA ' HG22 ' A' ' 61' ' ' VAL . 85.8 p -70.76 -7.22 43.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 40.2 p -81.61 -31.27 32.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -85.66 2.69 44.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.535 HG22 ' HA ' ' A' ' 58' ' ' SER . 24.3 m -127.7 165.5 26.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.138 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -119.6 119.52 34.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -72.35 128.76 36.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.917 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.653 HG22 ' HG2' ' A' ' 33' ' ' ARG . 44.3 p -139.52 148.42 42.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 111.141 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.93 167.96 20.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.421 ' O ' HG13 ' A' ' 11' ' ' VAL . 12.2 p -124.96 127.02 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.477 ' HA ' HG12 ' A' ' 61' ' ' VAL . . . -60.66 115.68 3.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.472 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 2.2 mmp_? -91.66 -14.76 29.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -149.22 140.12 22.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -67.4 137.37 55.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.521 ' CZ ' ' HA ' ' A' ' 18' ' ' ALA . 4.6 t80 -143.92 117.86 9.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -86.83 98.72 11.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.083 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.521 ' HA ' ' CZ ' ' A' ' 16' ' ' PHE . . . -34.55 108.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -48.75 -50.5 33.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -117.94 171.9 7.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 60.7 mtp -58.4 -45.08 89.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.1 mmp_? -48.25 -54.21 14.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.64 -176.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 55' ' ' TRP . 28.4 tp -138.95 134.13 32.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.7 m -72.13 130.29 40.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.6 mt -110.56 134.5 52.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.443 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 17.7 ttt85 -122.61 141.82 51.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -51.32 108.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.2 -28.22 9.95 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.438 ' CG ' ' HB3' ' A' ' 27' ' ' ARG . 7.6 m-20 -55.93 109.86 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.88 0.371 . . . . 0.0 110.828 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.4 t -83.06 115.78 26.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.461 HG11 ' CE2' ' A' ' 56' ' ' PHE . 7.3 t -102.16 141.59 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.653 ' HG2' HG22 ' A' ' 9' ' ' THR . 32.6 mtm-85 -102.32 101.94 12.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.1 mt -56.36 100.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -80.07 -44.24 20.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 m -125.6 106.35 9.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.413 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 25.4 ttt-85 -64.83 -37.2 86.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 90.9 mt -134.08 140.99 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 134.02 29.06 0.47 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.495 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.26 -113.74 1.14 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -93.51 -178.48 4.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -38.53 -50.73 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.7 75.07 0.22 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.522 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.418 ' CZ3' ' HD3' ' A' ' 57' ' ' PRO . 10.5 m95 -128.03 -177.41 4.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.731 0.301 . . . . 0.0 110.917 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.482 ' CZ3' ' HB2' ' A' ' 58' ' ' SER . 10.0 m0 -140.93 160.15 40.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -127.79 111.52 13.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.452 ' HA3' HG12 ' A' ' 32' ' ' VAL . . . -134.42 -158.39 8.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -147.9 137.23 22.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.94 0.4 . . . . 0.0 110.928 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.1 t -161.35 131.93 5.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.0 t30 63.53 27.67 15.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.98 34.91 61.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -133.73 120.76 20.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.769 0.319 . . . . 0.0 110.921 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mp -113.17 127.22 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.48 -169.76 40.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.493 ' O ' ' N ' ' A' ' 24' ' ' LEU . 94.9 m95 -88.76 129.74 35.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.834 0.349 . . . . 0.0 110.957 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.461 ' CE2' HG11 ' A' ' 32' ' ' VAL . 28.1 p90 -131.15 143.95 51.5 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.661 0.743 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.418 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 54.0 Cg_endo -69.76 119.39 6.35 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.628 2.219 . . . . 0.0 112.334 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.482 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 80.8 p -67.63 -30.56 70.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.6 p -64.5 -13.58 52.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -94.72 -15.04 24.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.477 HG12 ' HA ' ' A' ' 12' ' ' ALA . 2.6 m -116.69 179.94 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.129 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -142.78 130.04 20.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -71.35 110.27 5.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.598 HG22 ' HG3' ' A' ' 33' ' ' ARG . 70.4 p -120.53 146.64 46.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.806 0.336 . . . . 0.0 111.141 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.91 175.2 7.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.416 ' O ' HG13 ' A' ' 11' ' ' VAL . 13.3 p -131.47 128.86 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.97 115.73 7.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.059 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.565 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 24.1 mmt180 -91.39 -3.5 56.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.565 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 36.3 m-85 -153.12 145.18 23.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 15' ' ' ASN . 3.4 p30 -74.62 115.72 14.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.481 ' HB2' ' CD2' ' A' ' 60' ' ' TYR . 19.4 t80 -115.92 129.82 56.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.63 107.05 17.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.078 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.64 137.89 48.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -86.29 -40.47 15.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.62 170.02 10.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 31.2 mtm -61.56 -44.02 97.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -49.07 -40.0 29.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -71.84 175.37 5.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.535 HD11 ' O ' ' A' ' 52' ' ' ARG . 10.1 tp -135.57 125.78 26.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.6 p -69.52 154.71 41.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.634 HD11 ' HB2' ' A' ' 56' ' ' PHE . 10.7 mt -140.41 138.88 35.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -121.94 139.7 53.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -46.45 105.03 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.31 -35.97 4.01 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -47.81 122.18 4.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -93.75 117.85 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.6 t -101.91 143.89 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.598 ' HG3' HG22 ' A' ' 9' ' ' THR . 26.1 ttm180 -102.71 103.84 14.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.851 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.8 mt -61.01 116.63 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -98.78 -55.45 2.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -114.58 145.12 42.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -98.54 -43.2 6.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.7 pt -107.84 162.97 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.094 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.95 -33.74 2.49 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.31 -153.46 15.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -63.21 175.12 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -76.62 93.83 3.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.02 39.1 0.98 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 38.4 m95 -139.92 144.7 37.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.752 0.31 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.495 ' CZ3' ' HB2' ' A' ' 58' ' ' SER . 33.5 m0 -129.03 170.41 13.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.447 ' HB2' ' CZ3' ' A' ' 55' ' ' TRP . 75.2 tttt -123.67 125.92 45.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.905 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.14 -155.3 6.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.425 ' HG3' ' CG1' ' A' ' 53' ' ' ILE . 18.8 tt0 -159.15 137.25 10.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.947 0.403 . . . . 0.0 110.902 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -161.58 138.03 8.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.4 t30 60.26 31.48 20.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.32 34.4 80.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.535 ' O ' HD11 ' A' ' 24' ' ' LEU . 42.9 mtt85 -134.8 119.85 18.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.425 ' CG1' ' HG3' ' A' ' 48' ' ' GLU . 49.3 mt -110.08 141.05 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 167.78 -170.89 42.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.447 ' CZ3' ' HB2' ' A' ' 46' ' ' LYS . 73.1 m95 -91.52 152.07 20.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.634 ' HB2' HD11 ' A' ' 26' ' ' LEU . 13.3 p90 -161.08 144.67 9.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.646 0.736 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 121.52 8.2 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.731 2.287 . . . . 0.0 112.328 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.495 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 92.0 p -60.94 -23.76 65.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.8 p -64.45 -38.85 92.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.481 ' CD2' ' HB2' ' A' ' 16' ' ' PHE . 10.0 m-85 -66.28 -16.42 64.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 m -120.29 179.59 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -136.86 128.66 29.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -73.26 127.17 31.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.913 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.437 HG22 ' HG2' ' A' ' 33' ' ' ARG . 81.7 p -124.3 146.98 48.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.773 0.32 . . . . 0.0 111.147 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.44 161.18 30.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p -120.98 136.89 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.167 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.44 112.76 6.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.568 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 15.4 mmt180 -87.65 -7.66 57.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 47.0 m-85 -154.31 145.41 22.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.96 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -69.74 138.78 53.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CD1' ' N ' ' A' ' 17' ' ' ALA . 3.1 t80 -136.09 133.8 37.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.436 ' N ' ' CD1' ' A' ' 16' ' ' PHE . . . -101.24 99.51 9.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.8 121.62 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -64.81 -41.05 96.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -137.56 172.97 12.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.9 mmt -59.53 -46.68 88.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -43.08 -43.16 4.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -77.32 -179.95 6.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 55' ' ' TRP . 15.0 tp -137.28 123.06 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.5 p -68.01 149.09 50.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.451 HD13 ' CG1' ' A' ' 61' ' ' VAL . 89.7 mt -124.68 134.94 52.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.7 ttt85 -117.71 139.28 51.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -45.15 113.46 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.76 -36.25 4.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.53 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -46.46 117.8 1.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.873 0.368 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.4 t -92.1 109.53 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.835 HG11 ' CE2' ' A' ' 56' ' ' PHE . 3.3 t -93.64 140.57 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.437 ' HG2' HG22 ' A' ' 9' ' ' THR . 53.3 mtm180 -101.86 103.22 13.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.2 mt -61.55 106.15 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -84.48 -56.3 3.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -123.52 145.76 48.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 37' ' ' ARG . 9.0 mtp-105 -106.57 -38.91 6.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.3 pt -93.76 141.93 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 132.84 -39.22 1.77 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.39 -169.46 40.48 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.32 169.17 4.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.823 0.344 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -72.74 89.84 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.52 25.55 1.58 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -140.41 148.7 41.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.699 0.285 . . . . 0.0 110.96 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -128.59 177.66 6.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -130.8 107.47 9.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.81 -142.28 5.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -170.46 141.88 2.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -158.04 133.12 8.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 60.73 37.37 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.8 37.24 93.2 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -134.5 126.35 29.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.2 mp -116.04 136.55 52.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.47 179.94 42.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.423 ' O ' ' N ' ' A' ' 24' ' ' LEU . 57.5 m95 -85.8 129.51 34.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.773 0.321 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.835 ' CE2' HG11 ' A' ' 32' ' ' VAL . 15.9 p90 -133.81 151.68 77.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 122.1 8.78 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.718 2.279 . . . . 0.0 112.348 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.5 p -76.22 -3.61 37.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 p -90.85 -6.47 54.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -104.39 -6.91 20.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.451 ' CG1' HD13 ' A' ' 26' ' ' LEU . 11.1 m -117.91 169.34 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -124.22 123.59 40.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -69.44 98.99 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.922 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m 52.24 44.18 29.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.894 0.378 . . . . 0.0 110.852 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -120.74 148.92 43.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.05 168.04 33.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p -139.47 173.14 11.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.37 . . . . 0.0 110.814 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.9 m -89.84 150.75 22.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.81 87.73 0.58 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.503 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.24 42.61 4.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.2 p -122.59 144.55 49.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.751 0.31 . . . . 0.0 111.143 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.496 ' HB1' ' HB ' ' A' ' 61' ' ' VAL . . . -123.27 145.89 48.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.079 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 11' ' ' VAL . 7.3 p -114.58 118.85 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.72 103.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.082 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -79.82 -5.02 54.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -146.4 136.88 23.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 -62.29 132.57 53.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -139.38 117.75 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.22 122.4 35.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.98 129.74 40.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -90.99 -42.44 10.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -97.34 140.31 31.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -22.21 4.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -74.73 -40.7 61.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -64.97 166.94 8.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.8 tp -119.62 129.02 54.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.6 m -68.3 136.32 53.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.587 HD21 HG21 ' A' ' 32' ' ' VAL . 11.8 mt -119.4 136.08 54.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.402 ' HB3' ' CG ' ' A' ' 30' ' ' ASP . 44.8 ttt180 -121.62 139.37 53.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -47.97 106.27 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.09 19.19 15.26 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.455 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.402 ' CG ' ' HB3' ' A' ' 27' ' ' ARG . 8.7 m-20 -101.88 112.66 25.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.842 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.8 t -73.87 143.56 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.587 HG21 HD21 ' A' ' 26' ' ' LEU . 3.2 t -137.01 130.98 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.44 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 2.4 mpt_? -85.01 145.87 27.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 79.7 mt -98.88 102.62 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -84.41 -57.18 3.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -124.57 132.81 53.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.806 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -84.37 -35.39 23.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.841 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.5 pt -132.31 145.98 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.41 -44.64 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.493 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -119.32 -83.0 0.81 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.517 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.3 141.61 44.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.309 . . . . 0.0 110.856 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.19 139.88 56.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.62 -57.78 1.91 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -57.1 142.92 40.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.476 ' CE3' ' HB2' ' A' ' 58' ' ' SER . 37.5 m0 -127.34 152.31 47.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.8 tttm -101.89 114.42 28.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.44 ' CA ' ' O ' ' A' ' 33' ' ' ARG . . . -129.44 -153.38 7.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.506 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -168.33 134.98 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.386 . . . . 0.0 110.931 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -164.29 145.93 8.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 57.96 27.61 14.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.37 31.09 68.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -129.36 137.85 51.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mp -128.02 138.97 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 176.42 -155.69 19.44 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.459 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -108.71 122.75 47.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -130.46 143.98 51.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 149.48 67.5 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.715 2.277 . . . . 0.0 112.347 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.476 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.3 t -94.21 -14.13 25.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.0 p -77.46 -24.48 50.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -85.18 -11.09 55.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.496 ' HB ' ' HB1' ' A' ' 10' ' ' ALA . 35.0 m -114.4 171.41 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -127.76 111.71 13.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -58.6 107.98 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -69.49 128.0 34.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -114.8 -141.75 7.65 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.1 mt -41.86 139.0 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 0.0 111.113 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -127.91 125.17 39.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 68.2 m -66.67 128.06 34.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -100.88 -92.21 2.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.417 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 84.98 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.646 2.231 . . . . 0.0 112.341 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.1 t -122.92 107.84 12.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.3 p -98.75 164.18 12.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.488 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 m -81.1 -61.58 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.916 0.389 . . . . 0.0 110.9 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.4 m -72.53 117.81 14.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.823 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.93 153.32 29.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.0 t -116.88 132.2 56.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.379 . . . . 0.0 110.819 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -99.91 111.53 23.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.826 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.87 118.55 0.54 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.458 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -162.66 50.65 0.32 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.461 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.1 p -131.52 140.71 49.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 111.076 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.57 159.44 27.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 p -121.49 131.42 73.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.01 110.19 5.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.08 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -82.8 -7.56 59.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -152.68 148.83 27.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -73.32 134.58 44.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 17' ' ' ALA . 14.4 t80 -122.93 153.59 39.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.426 ' N ' ' CD1' ' A' ' 16' ' ' PHE . . . -118.7 103.88 10.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.081 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.97 105.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.067 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -43.92 -39.47 4.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -152.59 170.61 19.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.3 tpp -39.52 -54.39 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -39.05 -58.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.16 167.32 5.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.456 HD23 ' CD1' ' A' ' 56' ' ' PHE . 4.1 tp -126.95 118.66 24.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.0 p -70.07 146.0 51.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 mt -127.28 143.61 51.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -119.49 134.22 55.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -39.79 103.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.48 7.97 29.35 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.506 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -87.08 119.01 26.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.0 t -86.33 121.78 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.071 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.684 HG11 ' CE1' ' A' ' 56' ' ' PHE . 20.7 t -107.94 142.2 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.9 mtt-85 -101.32 102.75 13.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.0 mt -62.83 105.99 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -92.53 -53.18 4.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.6 m -116.76 146.21 42.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.3 mtm-85 -107.42 -44.88 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.3 pt -70.14 147.79 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.82 142.4 11.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.506 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.77 -139.66 11.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -119.75 46.14 2.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.763 0.316 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 57.58 26.72 13.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 176.52 34.3 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.452 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.436 ' CZ3' ' HD3' ' A' ' 57' ' ' PRO . 24.3 m95 -137.05 153.76 50.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.8 0.334 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 26.9 m0 -134.73 162.34 32.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -111.26 113.09 25.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -132.82 -156.95 8.32 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.435 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -157.26 141.46 16.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.94 0.4 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.608 HG23 ' ND2' ' A' ' 50' ' ' ASN . 13.9 t -166.08 148.9 7.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.17 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.608 ' ND2' HG23 ' A' ' 49' ' ' THR . 17.0 p30 48.13 28.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.17 30.39 60.98 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.8 mtt-85 -128.4 126.96 41.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.3 mt -123.6 136.33 60.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 173.23 -158.51 28.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -100.66 119.53 38.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.684 ' CE1' HG11 ' A' ' 32' ' ' VAL . 29.7 p90 -127.37 144.38 50.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.65 0.738 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.436 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 53.9 Cg_endo -69.74 143.68 51.69 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.1 p -83.67 -22.22 32.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.2 t -68.18 -23.89 64.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -83.18 -18.76 38.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 m -117.85 164.96 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -128.77 134.28 48.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -82.99 105.27 13.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.4 ' OE2' ' CG1' ' A' ' 66' ' ' ILE . 9.4 pt-20 -108.92 145.98 34.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -99.18 59.77 0.82 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.532 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.4 ' CG1' ' OE2' ' A' ' 64' ' ' GLU . 10.8 mm -93.85 137.13 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 111.123 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -96.06 163.03 13.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.963 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.8 t -101.39 -60.25 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 153.31 -94.28 0.14 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 94.45 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.3 p -112.55 156.9 21.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.8 t -43.01 133.2 3.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.457 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -95.15 98.52 10.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -66.61 -41.99 87.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.86 -40.66 2.51 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -160.23 122.24 3.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.39 . . . . 0.0 110.825 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -161.47 162.99 30.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.818 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.9 -168.13 19.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.1 61.68 5.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.9 p -134.62 153.82 51.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.814 0.34 . . . . 0.0 111.161 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.31 163.87 27.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.429 HG23 ' HG3' ' A' ' 64' ' ' GLU . 63.4 t -122.45 134.06 66.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' A' ' 27' ' ' ARG . . . -65.61 115.79 6.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.463 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 4.7 mmp_? -91.12 -22.47 20.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.41 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 27.8 m-85 -150.13 145.0 26.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -61.2 143.17 56.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -152.78 127.28 9.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.51 125.1 46.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.13 134.49 57.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 70.8 mtp85 -73.69 -43.36 59.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -132.25 162.99 29.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.31 -20.92 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -70.95 -47.42 59.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 1.1 mp0 -70.1 163.62 25.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.407 ' CD1' ' HB3' ' A' ' 52' ' ' ARG . 17.0 tp -119.78 132.81 55.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.0 t -70.26 157.39 37.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' A' ' 56' ' ' PHE . 64.0 mt -142.8 135.46 27.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.663 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 37.2 ttp180 -122.15 147.53 46.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -49.83 102.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.94 -34.85 4.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -46.41 117.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.2 t -91.35 111.08 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.469 HG21 ' CD2' ' A' ' 26' ' ' LEU . 7.6 t -96.68 145.68 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -101.75 104.76 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.8 mt -61.46 101.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -82.76 -54.3 5.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -131.97 144.79 51.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.471 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 38.3 mtp180 -94.99 -42.15 8.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.401 HD12 ' C ' ' A' ' 38' ' ' ILE . 2.8 pp -73.12 170.06 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.63 -98.94 0.6 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.25 -175.86 8.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -44.42 153.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.753 0.311 . . . . 0.0 110.847 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -51.88 104.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 130.52 -42.99 1.34 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.419 ' CZ3' ' HD3' ' A' ' 57' ' ' PRO . 67.6 m95 -66.54 130.54 43.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.745 0.307 . . . . 0.0 110.971 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.471 ' CD1' ' HA ' ' A' ' 37' ' ' ARG . 17.1 m0 -117.35 -176.66 3.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -133.0 117.73 17.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -138.57 -159.38 8.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.489 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -155.52 143.72 20.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.389 . . . . 0.0 110.844 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.0 t -168.92 148.82 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 48.83 31.8 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.61 29.44 71.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 32.3 mmt180 -126.88 124.9 40.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.755 0.312 . . . . 0.0 110.894 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.3 mt -118.0 152.06 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.64 -163.43 31.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.519 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -98.35 122.18 41.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.518 ' HB2' HD11 ' A' ' 26' ' ' LEU . 26.6 p90 -125.49 145.85 52.54 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.643 0.735 . . . . 0.0 110.838 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.419 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 53.6 Cg_endo -69.81 167.99 22.91 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.254 . . . . 0.0 112.307 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.447 ' HB3' ' CZ3' ' A' ' 45' ' ' TRP . 42.3 p -107.62 -21.29 12.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 82.1 p -72.08 -24.29 61.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -85.93 -19.88 29.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.426 ' CG1' HD13 ' A' ' 26' ' ' LEU . 4.8 m -118.88 163.3 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -117.06 129.13 55.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -74.94 107.51 7.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.429 ' HG3' HG23 ' A' ' 11' ' ' VAL . 18.8 mt-10 -58.76 163.28 3.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.59 160.41 10.45 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 38.4 pt -53.71 143.31 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -109.5 160.39 16.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 93.4 p -138.76 144.06 39.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.826 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 137.26 -158.46 24.37 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 123.25 9.92 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.332 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.8 t -83.26 -56.7 3.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -112.14 148.32 34.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.805 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 m 62.5 42.35 8.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.379 . . . . 0.0 110.901 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.8 p -105.77 41.95 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.73 -81.08 1.46 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -128.3 91.58 3.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 110.833 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -88.1 138.86 31.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.06 42.12 94.88 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -146.38 54.02 0.54 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.5 p -137.16 150.75 48.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 111.19 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.33 166.56 16.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.3 p -124.99 128.88 73.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.34 107.24 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.418 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 2.8 mmp_? -83.32 -5.68 59.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -152.75 156.0 38.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -75.31 117.26 16.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -125.97 140.22 52.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.73 142.07 47.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.28 97.27 4.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -48.58 -41.36 30.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -116.66 -175.01 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 20.1 ptt? -80.02 -35.29 37.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.427 ' N ' ' HG3' ' A' ' 21' ' ' MET . 12.8 ptm180 -69.9 -7.47 40.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -93.78 163.32 13.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' A' ' 52' ' ' ARG . 63.9 tp -119.8 119.45 33.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.967 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.2 m -71.53 137.32 48.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 mt -121.52 139.73 53.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 27' ' ' ARG . 17.8 ttp-105 -118.32 138.26 52.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -38.7 104.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.16 18.11 20.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -91.0 115.71 28.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 0.0 110.824 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.2 t -80.67 125.83 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.7 t -114.07 146.32 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.4 mtt85 -103.28 104.37 14.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 55.3 mt -64.01 100.98 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -81.42 -46.25 14.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -130.89 107.91 9.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.574 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 28.5 ttt180 -68.0 -28.27 67.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.5 mt -108.64 128.22 64.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -152.94 -127.95 1.28 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.72 -95.21 0.95 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.469 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.54 ' CB ' ' CD1' ' A' ' 44' ' ' TRP . 74.1 m-20 -38.15 149.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -85.24 45.75 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.914 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.97 31.49 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.54 ' CD1' ' CB ' ' A' ' 41' ' ' ASP . 33.4 m95 -128.97 159.27 36.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.741 0.305 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.574 ' CD1' ' HA ' ' A' ' 37' ' ' ARG . 24.2 m0 -141.27 160.59 39.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -107.32 116.22 31.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.98 -160.66 9.36 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.448 ' OE2' HD11 ' A' ' 53' ' ' ILE . 41.0 tt0 -164.03 143.76 8.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.952 0.406 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.4 t -168.4 145.45 3.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.3 m120 53.93 32.62 15.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.49 36.48 77.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.438 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 31.7 mmt180 -133.81 119.01 18.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 110.878 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.448 HD11 ' OE2' ' A' ' 48' ' ' GLU . 19.4 mt -115.47 144.22 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.49 -154.64 25.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 91.9 m95 -100.69 130.52 46.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -130.55 144.77 54.69 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.667 0.746 . . . . 0.0 110.864 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 120.01 6.87 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.658 2.239 . . . . 0.0 112.376 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.3 p -74.36 -3.96 33.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.6 p -88.24 -34.55 17.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -78.28 -0.95 30.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.8 m -119.75 177.86 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -138.81 109.86 6.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -56.35 112.31 1.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -82.26 164.21 21.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 66' ' ' ILE . . . 147.62 125.94 1.6 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 65' ' ' GLY . 9.3 tt -36.56 154.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.754 0.312 . . . . 0.0 111.149 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -117.05 169.72 9.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -68.19 137.69 55.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -159.45 -159.04 9.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 2.77 3.22 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.313 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.5 m -67.33 137.26 55.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.8 m -90.1 -57.84 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.497 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -70.58 172.64 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 0.0 110.895 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -50.43 -55.54 15.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.81 95.67 1.63 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -149.77 108.51 3.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -108.13 104.71 14.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.78 105.63 0.11 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.536 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.89 105.49 0.2 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.496 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.1 p -142.85 137.91 29.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.764 0.316 . . . . 0.0 111.164 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.32 171.8 7.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 p -134.6 132.53 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 27' ' ' ARG . . . -66.81 115.19 6.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.111 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -92.23 -12.58 32.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -148.57 147.76 29.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -71.49 133.05 45.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -140.06 136.29 33.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.01 123.52 47.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.87 124.53 23.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . 2.6 ptm85 -75.69 -44.99 39.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -108.24 165.12 11.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 29.7 ttm -61.23 -51.95 66.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -45.65 -42.54 11.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -60.55 166.76 2.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.433 ' CD1' ' HB3' ' A' ' 52' ' ' ARG . 43.3 tp -129.16 131.38 47.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.4 p -68.17 139.8 56.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.5 mt -120.57 127.31 52.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.539 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 18.5 ttm-85 -120.42 139.49 52.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -47.22 103.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.92 -34.87 4.54 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -51.55 108.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.8 t -75.53 139.1 19.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.642 HG11 ' CE1' ' A' ' 56' ' ' PHE . 5.8 t -129.22 145.35 35.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.433 ' HG2' ' CE1' ' A' ' 35' ' ' TYR . 45.8 ttt180 -108.94 109.21 20.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.7 mt -65.14 101.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.433 ' CE1' ' HG2' ' A' ' 33' ' ' ARG . 21.8 m-85 -81.61 -59.5 2.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.7 t -108.15 140.67 41.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -93.67 -36.04 12.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.506 HD12 ' C ' ' A' ' 38' ' ' ILE . 2.6 pp -120.77 154.32 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 154.91 -51.5 0.46 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.01 -120.08 1.53 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' GLY . 6.3 t70 -79.16 46.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.772 0.32 . . . . 0.0 110.93 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 41' ' ' ASP . 2.6 tp-100 36.08 32.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -152.81 -53.04 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.559 ' CZ3' ' HD3' ' A' ' 57' ' ' PRO . 14.1 m95 -57.83 161.48 3.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.32 . . . . 0.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 40.9 m0 -123.39 153.01 40.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -110.54 120.45 42.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -131.94 -152.02 7.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -166.78 120.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 0.0 110.933 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.424 HG22 HD21 ' A' ' 24' ' ' LEU . 13.8 t -141.45 143.85 34.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 56.21 27.82 12.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.16 38.98 58.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.455 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 26.0 mmt-85 -135.81 122.5 20.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.907 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mp -105.01 136.98 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.14 172.42 38.01 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -87.01 129.13 35.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.809 0.338 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.642 ' CE1' HG11 ' A' ' 32' ' ' VAL . 36.1 p90 -132.8 152.01 79.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.604 0.716 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.559 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 53.5 Cg_endo -69.78 152.24 69.16 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.652 2.235 . . . . 0.0 112.364 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.3 p -93.67 -17.71 22.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -73.81 -41.32 62.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -66.28 -15.91 63.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 18.7 m -114.45 178.54 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -135.59 118.25 16.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -71.69 109.34 5.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -117.23 132.82 56.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -122.67 -58.97 0.2 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.8 pp -57.07 166.17 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.808 0.337 . . . . 0.0 111.091 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -125.81 154.69 42.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.7 m -154.03 135.88 14.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 159.51 -158.29 29.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.482 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 162.79 40.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.258 . . . . 0.0 112.353 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.0 t -143.52 125.9 15.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.2 m -112.41 103.57 11.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.831 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 t -113.35 132.8 55.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.918 0.39 . . . . 0.0 110.863 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.7 m -122.2 137.73 54.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.62 -177.59 42.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -108.97 130.82 55.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.891 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -103.1 -45.81 4.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.22 118.03 1.95 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -147.38 123.1 1.68 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.2 p -133.9 145.43 49.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 111.155 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.71 168.94 11.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.7 t -133.77 125.14 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.092 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.2 103.26 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.478 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 14.6 mmm180 -85.11 -0.35 54.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.478 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 42.3 m-85 -157.62 149.5 22.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -70.68 128.5 36.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -134.04 130.87 38.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.23 122.1 40.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.415 ' HB2' ' N ' ' A' ' 25' ' ' SER . . . -54.94 108.39 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.127 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -48.28 -53.35 17.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -122.65 170.12 10.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 29.3 mtt -56.19 -39.28 72.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -57.36 -48.76 78.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -54.6 -177.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.7 tp -136.64 121.24 18.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.415 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 37.1 m -68.88 132.01 46.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 56' ' ' PHE . 38.3 mt -113.5 140.94 47.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.407 ' HB3' ' CG ' ' A' ' 30' ' ' ASP . 9.3 tpt180 -122.11 138.54 54.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -43.65 105.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.58 14.26 25.95 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.407 ' CG ' ' HB3' ' A' ' 27' ' ' ARG . 13.5 m-20 -92.46 112.98 25.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.854 0.359 . . . . 0.0 110.858 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 36.6 t -78.52 128.27 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.452 HG11 ' CE1' ' A' ' 56' ' ' PHE . 22.5 t -121.43 137.66 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -96.94 105.15 17.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.4 mt -58.19 110.7 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -99.42 -54.33 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.407 ' OG ' ' CB ' ' A' ' 46' ' ' LYS . 92.8 p -113.54 144.01 43.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.887 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.512 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 14.8 mmt85 -106.58 -40.81 5.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 pt -109.45 160.84 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 141.93 -42.34 1.15 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.06 -126.28 3.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -82.69 155.13 24.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.748 0.309 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -59.36 110.73 1.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.45 -59.33 0.5 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -47.18 142.58 3.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.74 0.305 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' A' ' 58' ' ' SER . 19.6 m0 -135.72 168.26 19.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.935 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.407 ' CB ' ' OG ' ' A' ' 36' ' ' SER . 28.6 tttp -113.15 125.3 54.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.11 -152.52 5.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -160.6 141.0 11.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 110.91 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -163.13 154.43 17.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 44.77 30.35 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.23 34.49 64.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -133.52 123.39 25.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.787 0.327 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.8 mt -110.65 135.15 50.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 173.05 -175.19 46.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -86.56 124.24 32.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.452 ' CE1' HG11 ' A' ' 32' ' ' VAL . 28.2 p90 -126.2 150.39 69.62 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.655 0.741 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 158.21 57.72 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.326 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.537 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 82.7 p -105.32 -12.52 16.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.0 t -86.09 -30.42 22.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -80.71 -3.63 51.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.0 m -123.02 179.62 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -137.43 115.83 11.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -65.14 102.34 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -120.8 159.68 24.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 125.96 -91.93 0.4 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.2 pt -48.56 158.02 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.311 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -136.42 136.72 39.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.6 t -117.91 88.43 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.45 78.49 1.41 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 113.25 3.31 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.365 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.2 t 40.4 43.16 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.5 m -67.03 -54.37 22.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.832 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.457 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 t -126.26 88.83 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 110.823 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.4 m -116.47 145.73 43.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.26 83.53 1.72 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 m -63.63 132.37 50.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 110.833 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -51.12 -46.89 62.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.73 -139.93 14.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 127.91 43.26 0.24 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 33' ' ' ARG . 72.6 p -133.09 156.22 47.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 111.128 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.11 163.07 16.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.056 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.5 t -121.94 122.37 66.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.44 103.4 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 4.4 mmp_? -80.76 -19.7 44.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -140.91 156.86 46.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -80.99 121.38 25.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -124.82 146.82 49.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.48 120.95 40.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.54 98.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -44.03 -40.18 4.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -131.34 162.6 29.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.7 mtp -52.25 -48.88 64.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -45.55 -41.79 10.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.48 172.42 9.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.9 tp -123.65 134.19 53.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.485 ' O ' HD23 ' A' ' 26' ' ' LEU . 24.7 t -73.95 148.34 42.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.529 HD11 ' HB2' ' A' ' 56' ' ' PHE . 83.4 mt -135.26 130.67 35.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.3 ttp85 -118.48 137.88 52.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -42.12 107.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.28 11.53 33.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -90.07 108.9 20.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.2 t -76.34 122.25 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.178 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.9 t -112.37 143.75 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.403 ' HA ' HG22 ' A' ' 9' ' ' THR . 23.3 ttt180 -104.71 104.01 13.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 86.0 mt -60.49 101.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -85.95 -53.73 4.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 m -117.44 128.67 55.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -97.09 -50.56 4.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.3 mt -76.52 110.33 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 163.18 -142.64 8.01 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 38.18 -158.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.05 59.81 3.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.712 0.291 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 53.7 50.22 17.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.2 -57.08 0.21 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.48 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -47.04 157.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.727 0.298 . . . . 0.0 110.918 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -129.95 172.71 11.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -127.25 114.12 17.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -124.45 -152.17 8.28 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -158.89 132.14 7.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.93 0.395 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.3 t -159.87 143.8 14.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 54.8 30.59 13.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.47 32.77 67.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -133.6 136.48 44.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.772 0.32 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.0 mp -127.62 134.22 65.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.118 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 177.33 -171.14 43.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -86.73 117.83 25.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.795 0.331 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.529 ' HB2' HD11 ' A' ' 26' ' ' LEU . 20.2 p90 -122.57 148.96 54.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.701 0.763 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 147.25 62.71 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.73 2.287 . . . . 0.0 112.344 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.412 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 92.4 p -94.57 -10.85 30.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.892 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 61.4 p -84.58 -41.17 16.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.09 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -72.48 -3.51 24.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.412 ' CG2' ' HA ' ' A' ' 58' ' ' SER . 16.1 m -119.24 165.75 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -115.15 116.09 27.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -79.7 96.81 6.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -50.48 159.06 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -179.31 -52.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 25.3 pt -66.81 166.18 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.762 0.315 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -145.53 140.93 27.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 59.8 p -73.14 155.05 40.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.06 67.74 1.33 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.517 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -42.19 3.6 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.704 2.27 . . . . 0.0 112.35 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 72' ' ' SER . 1.1 t -111.9 127.75 55.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 71' ' ' SER . 31.8 p 36.31 41.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.445 -179.947 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.4 m -136.97 174.7 10.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 t -133.51 164.59 26.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.59 -78.6 0.15 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 p -127.95 171.84 11.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.846 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -94.72 115.87 28.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.812 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.25 -98.14 0.89 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.72 65.82 1.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.6 p -134.39 155.5 50.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.321 . . . . 0.0 111.183 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.07 171.69 8.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.9 t -134.56 126.64 48.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 27' ' ' ARG . . . -58.57 103.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.473 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 3.3 mmp_? -77.69 -26.45 50.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -136.88 161.19 36.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -83.99 118.82 24.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -126.88 134.34 50.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.03 116.05 31.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.055 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.2 108.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -54.82 -44.83 74.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.88 167.45 12.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.8 tpp -58.85 -55.05 40.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 86.4 mtt-85 -41.73 -43.39 2.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.73 173.21 2.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.6 tp -125.08 135.96 53.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.7 p -73.84 135.99 43.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.4 HD21 HG21 ' A' ' 32' ' ' VAL . 87.1 mt -119.6 127.93 53.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.401 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 25.6 ttt180 -120.24 135.48 54.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -42.18 111.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.39 -39.03 2.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.443 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -48.28 121.28 4.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.0 t -93.57 109.75 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.678 HG11 ' CE1' ' A' ' 56' ' ' PHE . 5.5 t -93.69 143.15 12.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.113 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -102.89 103.28 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.2 mt -63.3 102.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -82.65 -59.01 2.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -121.58 131.47 54.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -93.1 -47.15 7.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.1 mt -93.6 129.64 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -176.93 -76.6 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.7 -134.01 6.8 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.456 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . 80.6 m-20 -50.27 135.1 22.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.737 0.303 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -50.02 147.86 3.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.3 -54.9 3.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.456 ' CD1' ' HB2' ' A' ' 41' ' ' ASP . 93.7 m95 -46.7 118.29 1.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.761 0.315 . . . . 0.0 110.91 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 38.8 m0 -109.07 168.34 9.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -124.33 111.39 15.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -128.93 -145.8 6.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.501 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -174.37 130.47 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 t -157.1 139.12 14.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.163 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 61.49 32.51 18.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.42 32.92 80.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -130.72 124.86 32.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.807 0.337 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.0 mt -119.61 140.99 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 176.12 -151.89 12.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 85.3 m95 -115.47 118.16 32.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.809 0.338 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.678 ' CE1' HG11 ' A' ' 32' ' ' VAL . 27.1 p90 -126.4 144.04 48.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.648 0.737 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 171.88 13.7 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.352 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.598 ' HA ' HG22 ' A' ' 61' ' ' VAL . 87.9 p -104.04 -34.05 8.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.3 p -59.51 -18.42 40.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -93.83 -14.81 25.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.598 HG22 ' HA ' ' A' ' 58' ' ' SER . 34.0 m -120.61 160.24 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -121.93 117.7 27.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -68.1 88.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -67.39 128.81 37.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -136.18 -120.84 2.02 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.555 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.553 ' N ' HD13 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -45.13 152.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.092 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -124.89 133.21 53.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -81.37 164.54 22.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -173.33 -160.48 21.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 109.69 2.36 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.7 p -87.11 -43.92 11.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.5 p -69.02 154.08 42.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.478 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.4 p -45.7 102.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 p -83.41 42.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.75 56.26 17.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.526 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.7 p -168.02 146.94 4.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.866 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.9 p -127.64 164.69 21.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.95 82.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -129.11 46.66 1.06 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.487 HG22 ' HA ' ' A' ' 33' ' ' ARG . 79.1 p -123.92 169.82 11.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.8 0.333 . . . . 0.0 111.152 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -142.46 158.1 44.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 p -114.1 128.37 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.51 103.13 2.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.415 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 23.1 mmm180 -73.15 -17.02 61.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 26.5 m-85 -143.72 158.16 43.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.24 149.66 28.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 18' ' ' ALA . 20.3 t80 -140.38 153.33 46.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.91 106.56 11.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 16' ' ' PHE . . . -54.78 102.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 45.4 mmm-85 -56.97 -34.55 68.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -132.75 152.4 51.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.2 ttp -42.98 -47.54 5.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -45.58 -53.43 9.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -59.58 162.72 4.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.409 ' CD1' ' HB3' ' A' ' 52' ' ' ARG . 40.8 tp -119.66 127.5 52.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.9 p -71.86 138.7 48.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.686 HD11 ' HB2' ' A' ' 56' ' ' PHE . 69.0 mt -122.42 142.65 50.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.4 ' HB3' ' CG ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -122.65 137.4 54.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -46.54 106.28 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.62 13.58 25.64 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.4 ' CG ' ' HB3' ' A' ' 27' ' ' ARG . 40.2 m-20 -95.67 120.09 35.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.838 0.351 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.0 t -83.0 132.3 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.462 HG11 ' CE1' ' A' ' 56' ' ' PHE . 40.5 t -119.7 137.32 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.487 ' HA ' HG22 ' A' ' 9' ' ' THR . 11.1 tpp85 -97.55 101.56 13.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 55.3 mt -59.24 101.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -81.42 -57.57 3.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -125.0 150.86 46.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -102.45 -37.83 7.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.0 pt -82.83 166.08 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.54 -105.75 0.67 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.89 -81.34 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.482 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . 37.4 m-20 -126.18 141.45 51.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.726 0.298 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 41' ' ' ASP . 3.1 tp60 -36.37 -53.07 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.26 -52.06 14.98 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.482 ' CD1' ' HB2' ' A' ' 41' ' ' ASP . 26.6 m95 -51.07 143.56 10.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 0.0 110.921 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 24.3 m0 -131.76 169.83 15.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.478 ' HB2' ' CZ3' ' A' ' 55' ' ' TRP . 25.2 tttt -119.73 113.98 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.438 ' HA3' HG12 ' A' ' 32' ' ' VAL . . . -125.24 -155.23 8.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -158.04 138.84 13.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.933 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.0 t -169.55 134.2 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.201 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 65.05 37.45 6.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.76 34.88 90.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.409 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 41.3 mtp180 -134.32 132.96 40.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.805 0.336 . . . . 0.0 110.817 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.4 mp -125.74 122.77 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.149 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.94 -173.84 38.36 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.513 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.478 ' CZ3' ' HB2' ' A' ' 46' ' ' LYS . 71.7 m95 -89.76 120.02 30.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.931 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.686 ' HB2' HD11 ' A' ' 26' ' ' LEU . 20.2 p90 -122.33 145.03 43.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.7 0.762 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 135.49 30.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.338 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.54 ' HA ' HG22 ' A' ' 61' ' ' VAL . 67.1 p -78.57 -13.11 59.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.5 p -75.8 -29.26 58.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -85.73 -2.0 57.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 58' ' ' SER . 11.7 m -128.89 162.31 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -126.39 125.68 42.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -66.8 118.35 10.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -70.17 152.26 44.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 67' ' ' GLN . . . -134.19 61.64 0.64 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.443 ' C ' ' O ' ' A' ' 65' ' ' GLY . 9.6 tt -34.84 -32.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.805 0.336 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 65' ' ' GLY . 8.4 tp60 -146.0 146.27 30.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.5 t -111.3 -37.03 5.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -124.0 -158.07 10.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -176.77 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 2.281 . . . . 0.0 112.337 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.5 t -159.78 161.26 34.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.3 p -164.65 144.8 7.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 t -114.96 -57.54 2.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.36 . . . . 0.0 110.832 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.4 p -49.91 163.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.22 -152.45 46.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m 52.52 44.38 30.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.37 . . . . 0.0 110.884 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.3 t -68.75 -48.23 64.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.833 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.5 117.95 0.79 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.53 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -145.05 47.46 0.75 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.48 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.1 p -135.63 142.87 45.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.739 0.304 . . . . 0.0 111.159 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.88 147.66 47.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -114.03 140.87 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.585 ' HA ' HG12 ' A' ' 61' ' ' VAL . . . -67.6 107.74 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -81.25 -24.09 37.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -138.15 144.35 40.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -65.02 120.13 12.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.495 ' HB2' ' CD2' ' A' ' 60' ' ' TYR . 8.3 t80 -130.22 120.72 24.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.12 113.23 24.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.485 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -50.16 129.13 20.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -74.36 -46.73 38.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -113.98 160.1 19.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 31.4 mtt -53.42 -46.68 69.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -48.83 -45.58 40.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.583 ' OE1' ' CZ3' ' A' ' 44' ' ' TRP . 54.1 mm-40 -62.86 165.76 6.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.44 HD21 HG22 ' A' ' 49' ' ' THR . 22.9 tp -121.37 126.91 50.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 92.2 p -68.42 134.69 50.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.402 HD11 ' HB2' ' A' ' 56' ' ' PHE . 67.6 mt -113.87 131.51 56.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -120.43 133.98 55.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -40.85 103.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.48 -43.15 1.62 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -45.81 119.98 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.8 t -93.17 126.57 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.408 HG12 ' HA3' ' A' ' 47' ' ' GLY . 4.1 t -111.44 142.9 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -107.85 102.14 11.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.4 mt -54.98 107.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -88.61 -48.52 7.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -123.93 128.72 49.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.0 mtm180 -80.03 -52.22 8.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 37.9 mm -106.45 134.65 47.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -167.91 -83.29 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.16 -130.68 3.49 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.515 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -55.2 173.34 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.728 0.299 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -87.94 133.41 33.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.85 32.56 20.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.583 ' CZ3' ' OE1' ' A' ' 23' ' ' GLU . 62.0 m95 -140.05 137.9 34.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.721 0.296 . . . . 0.0 110.889 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.563 ' CZ3' ' HB2' ' A' ' 58' ' ' SER . 29.9 m0 -118.28 174.43 6.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.0 tttp -134.98 113.56 11.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.408 ' HA3' HG12 ' A' ' 32' ' ' VAL . . . -130.89 -146.34 5.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -157.84 131.15 7.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.942 0.401 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.44 HG22 HD21 ' A' ' 24' ' ' LEU . 14.4 t -153.09 128.34 9.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.105 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 61.84 35.72 16.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.92 33.61 80.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -131.87 123.18 26.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.335 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.59 139.71 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.6 -177.06 41.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.483 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 43.7 m95 -85.27 121.12 27.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.848 0.356 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.402 ' HB2' HD11 ' A' ' 26' ' ' LEU . 8.7 p90 -121.66 150.21 54.7 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.69 0.757 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 130.62 19.62 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.563 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 60.3 p -84.76 -3.59 58.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.687 HG23 ' HD1' ' A' ' 60' ' ' TYR . 1.9 t -93.32 -13.4 28.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.127 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.687 ' HD1' HG23 ' A' ' 59' ' ' THR . 7.8 m-85 -100.26 -6.61 25.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.585 HG12 ' HA ' ' A' ' 12' ' ' ALA . 28.5 m -117.41 165.67 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -121.41 123.32 41.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.507 ' OE2' ' CH2' ' A' ' 45' ' ' TRP . 29.9 mt-10 -78.42 97.17 5.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -44.31 162.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.25 63.58 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.485 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.2 mm -81.63 131.92 32.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.764 0.316 . . . . 0.0 111.14 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -64.81 160.91 19.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.6 t -117.53 -63.13 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -153.07 82.66 0.17 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 123.79 10.44 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.5 p -133.84 164.03 28.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.3 m -60.48 110.4 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 m -127.27 150.53 49.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.945 0.402 . . . . 0.0 110.815 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.9 m -54.78 105.98 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.39 115.84 4.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.4 m -141.68 114.71 8.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.874 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -49.13 171.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.8 157.26 8.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.507 ' O ' HG23 ' A' ' 9' ' ' THR . . . 54.21 86.42 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 8' ' ' GLY . 56.6 p -160.49 148.89 16.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 0.0 111.105 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.511 ' HB1' ' HB ' ' A' ' 61' ' ' VAL . . . -129.06 138.0 51.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.804 HG22 HG22 ' A' ' 31' ' ' VAL . 88.4 t -100.92 134.19 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 27' ' ' ARG . . . -66.13 101.06 0.66 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.054 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -78.82 -14.47 59.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -141.93 154.04 44.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.417 ' CG ' ' O ' ' A' ' 15' ' ' ASN . 2.2 p30 -83.2 111.69 19.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -119.35 137.09 53.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.0 119.41 38.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.25 97.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -43.97 -51.56 7.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -118.02 174.63 6.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 22' ' ' ARG . 4.2 ppp? -60.44 -45.17 94.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 22' ' ' ARG . 25.8 mtm105 -49.55 -47.55 49.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -62.86 166.03 6.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.4 tp -120.46 128.63 53.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.7 m -68.2 123.86 21.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.841 HD11 ' HB2' ' A' ' 56' ' ' PHE . 65.9 mt -112.1 131.42 55.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.436 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 12.1 tpp180 -122.33 140.32 52.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -46.38 102.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 123.75 -36.52 2.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -53.07 125.15 16.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.811 0.338 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.804 HG22 HG22 ' A' ' 11' ' ' VAL . 98.6 t -98.86 110.4 26.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.626 HG11 ' CE1' ' A' ' 56' ' ' PHE . 2.7 t -90.37 135.48 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.087 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -96.76 102.35 14.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.4 mt -58.99 116.69 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -99.38 -55.74 2.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -123.2 137.04 54.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.426 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 68.5 mtt180 -89.02 -36.46 15.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.828 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 51.0 mt -92.0 119.81 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.456 ' C ' ' CZ3' ' A' ' 55' ' ' TRP . . . 139.24 149.31 5.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.0 -100.66 2.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -138.97 172.64 12.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.733 0.302 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -64.85 100.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.56 30.84 7.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.457 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.42 ' CH2' ' HD3' ' A' ' 57' ' ' PRO . 12.3 m95 -129.01 143.88 51.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.732 0.301 . . . . 0.0 110.943 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.426 ' CD1' ' HA ' ' A' ' 37' ' ' ARG . 24.1 m0 -122.35 166.01 15.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HB2' ' CZ3' ' A' ' 55' ' ' TRP . 25.5 tttp -116.82 118.81 33.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.12 -142.26 4.38 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 49' ' ' THR . 0.0 OUTLIER -173.25 140.51 0.86 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 0.0 110.869 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 49' ' ' THR . 13.3 t -147.31 122.58 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 63.53 29.44 15.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.23 -1.42 88.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -93.4 121.49 34.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.533 HG22 ' N ' ' A' ' 54' ' ' GLY . 21.6 mt -111.66 159.11 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.533 ' N ' HG22 ' A' ' 53' ' ' ILE . . . 150.05 176.32 23.02 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.453 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.456 ' CZ3' ' C ' ' A' ' 39' ' ' GLY . 69.3 m95 -89.41 125.36 35.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.781 0.324 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.841 ' HB2' HD11 ' A' ' 26' ' ' LEU . 10.4 p90 -129.76 144.0 51.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.657 0.741 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.42 ' HD3' ' CH2' ' A' ' 44' ' ' TRP . 53.7 Cg_endo -69.76 130.91 20.16 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 90.2 p -65.8 -19.94 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.49 -30.94 69.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.491 ' O ' HG13 ' A' ' 61' ' ' VAL . 28.7 m-85 -93.98 33.58 1.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.511 ' HB ' ' HB1' ' A' ' 10' ' ' ALA . 27.5 m -159.64 158.33 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.143 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -121.73 119.35 31.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -70.27 107.98 3.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -48.82 147.06 2.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -178.11 -105.87 0.2 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.467 ' C ' HD12 ' A' ' 66' ' ' ILE . 2.4 pp -40.95 156.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 111.13 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -116.85 85.41 2.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.3 m -42.81 127.15 3.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.24 -158.23 15.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 143.46 50.89 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.678 2.252 . . . . 0.0 112.356 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 89.4 p -95.5 158.05 15.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -132.52 179.21 6.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.462 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 m -88.23 140.86 29.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.839 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m 40.55 42.59 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.06 69.93 0.84 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.504 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -154.87 126.34 7.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.945 0.403 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -103.93 148.16 26.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.821 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.24 112.75 3.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.462 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 159.08 66.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.4 p -120.28 134.46 55.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.803 0.335 . . . . 0.0 111.108 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.5 154.1 30.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 88.1 t -115.32 113.15 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.72 110.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -82.14 -17.84 44.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -142.08 162.23 36.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -87.62 145.91 25.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -142.81 123.85 14.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -93.75 100.31 12.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -37.68 97.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.095 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -54.06 -41.76 68.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.35 176.98 4.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.0 mtm -68.18 -51.02 50.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.5 ptp85 -52.99 -47.05 68.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -50.89 160.11 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.447 ' CD1' ' O ' ' A' ' 52' ' ' ARG . 11.3 tp -119.53 121.51 39.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.0 p -71.19 135.61 47.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.626 HD11 ' HB2' ' A' ' 56' ' ' PHE . 32.7 mt -122.03 127.89 50.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -105.91 134.44 49.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -39.2 111.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.09 25.92 17.98 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -99.12 111.47 23.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.3 t -71.19 118.31 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.44 HG21 ' CD2' ' A' ' 26' ' ' LEU . 18.6 t -114.22 131.87 64.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -95.42 108.56 20.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.9 mt -64.2 109.32 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -91.78 -56.57 3.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -119.06 146.52 45.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -107.16 -45.64 4.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 49.8 mm -81.64 120.38 33.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 142.45 141.52 3.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.56 -162.75 54.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.16 154.33 4.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.769 0.318 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -56.51 136.38 54.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.57 -45.73 2.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.408 ' CZ3' ' HD3' ' A' ' 57' ' ' PRO . 17.3 m95 -45.56 147.35 0.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.785 0.326 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -134.35 171.08 14.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -115.41 111.03 20.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.49 -160.92 10.84 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.504 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -155.26 143.22 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.92 0.39 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.4 t -168.3 130.98 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.175 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.439 HD22 ' NE ' ' A' ' 52' ' ' ARG . 37.1 t30 63.31 31.9 15.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.16 35.7 70.84 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.447 ' O ' ' CD1' ' A' ' 24' ' ' LEU . 77.1 mtt180 -131.71 121.8 24.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.9 140.99 40.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.12 -167.22 38.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -90.46 128.42 36.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.796 0.331 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.626 ' HB2' HD11 ' A' ' 26' ' ' LEU . 12.3 p90 -134.79 143.99 48.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.653 0.739 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.408 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 54.0 Cg_endo -69.72 132.99 24.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.9 p -73.87 -29.64 62.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.423 HG23 ' HD1' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -63.96 -16.52 61.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.423 ' HD1' HG23 ' A' ' 59' ' ' THR . 8.5 m-85 -89.66 -19.56 24.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.1 m -118.74 167.3 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -126.93 136.77 52.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -87.28 92.23 9.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -46.18 170.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -99.74 113.18 4.64 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.461 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.1 mt -38.38 -41.57 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.843 0.354 . . . . 0.0 111.173 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -40.68 129.73 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.6 m -169.63 174.04 6.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.8 168.7 29.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -36.7 10.37 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.72 2.28 . . . . 0.0 112.339 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t 42.99 41.38 2.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.7 t -58.26 101.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 1' ' ' GLY . 15.8 p 35.07 45.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.956 0.408 . . . . 0.0 110.873 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.3 m -68.16 123.75 21.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.73 -132.25 10.93 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.437 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m 54.45 41.67 31.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.852 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.3 m -130.32 137.89 50.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.3 81.58 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.491 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.17 140.66 28.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.567 HG22 ' HG2' ' A' ' 33' ' ' ARG . 36.7 p -139.9 150.09 44.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.132 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.02 173.52 11.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.117 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 89.9 t -132.43 124.86 52.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 27' ' ' ARG . . . -59.81 119.64 8.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.07 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.471 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 5.9 mmp_? -94.18 -11.93 29.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -153.65 142.19 20.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -64.77 127.87 33.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -131.58 115.18 15.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.76 108.37 20.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.42 126.43 27.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.08 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -81.21 -44.67 17.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -101.79 160.0 14.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.2 mtm -59.53 -47.96 83.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -45.56 -54.7 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -55.71 174.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.4 tp -136.13 126.69 26.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.3 p -69.99 136.58 50.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.594 HD11 ' HB2' ' A' ' 56' ' ' PHE . 93.2 mt -120.63 140.17 51.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.486 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 7.9 tpp85 -121.38 135.79 55.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -44.49 112.31 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.86 -36.07 4.63 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -46.78 125.3 7.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.8 t -87.67 126.56 41.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.449 HG11 ' CE2' ' A' ' 56' ' ' PHE . 22.2 t -116.84 125.64 73.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.567 ' HG2' HG22 ' A' ' 9' ' ' THR . 75.7 mtt-85 -89.2 105.48 17.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.7 mt -58.97 102.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -77.62 -57.58 3.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -126.02 138.69 53.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.817 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.425 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 16.3 mtm105 -99.56 -41.53 7.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 78.8 mt -72.69 121.45 23.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.116 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.17 152.28 6.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.9 -175.5 17.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -58.65 162.21 4.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.745 0.307 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -58.35 118.55 5.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.62 -49.26 0.88 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.421 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 37.4 m95 -50.15 141.14 11.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.755 0.312 . . . . 0.0 110.932 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.427 ' CH2' ' OE1' ' A' ' 63' ' ' GLU . 22.1 m0 -138.69 171.01 14.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -114.9 121.08 42.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.64 -150.53 5.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.534 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.42 ' OE1' ' C ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -172.17 144.07 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.906 0.384 . . . . 0.0 110.879 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.6 t -172.26 135.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 m120 67.34 29.79 7.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.57 31.61 67.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.5 mtt85 -131.22 131.66 44.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.0 mt -126.57 144.51 36.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.6 -156.27 28.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.445 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -102.22 124.14 47.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.8 0.333 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.594 ' HB2' HD11 ' A' ' 26' ' ' LEU . 23.6 p90 -126.92 144.02 48.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 133.51 25.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.725 2.283 . . . . 0.0 112.36 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.2 t -80.29 -21.24 42.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.74 HG23 ' HD1' ' A' ' 60' ' ' TYR . 5.8 t -73.67 -10.68 59.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.74 ' HD1' HG23 ' A' ' 59' ' ' THR . 6.2 m-85 -100.51 -8.45 23.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.501 ' CG1' HD13 ' A' ' 26' ' ' LEU . 2.5 m -130.01 156.15 42.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -116.01 148.67 39.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.427 ' OE1' ' CH2' ' A' ' 45' ' ' TRP . 28.8 mt-10 -101.13 104.41 15.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -101.02 149.53 23.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -99.91 -97.78 2.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.6 pt -68.81 165.08 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -74.57 -48.33 27.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.5 t -63.6 97.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.79 167.99 46.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.475 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -177.62 1.96 Allowed 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.712 2.275 . . . . 0.0 112.304 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.8 t -66.62 134.59 52.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.0 p -42.46 108.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.948 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 p -101.3 99.54 9.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.9 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t 55.82 41.8 29.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.78 135.88 49.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.0 p -108.05 100.85 10.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.349 . . . . 0.0 110.866 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.6 m -68.36 174.29 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.13 113.97 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.517 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -131.16 67.41 0.56 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.451 HG22 ' HG3' ' A' ' 33' ' ' ARG . 70.1 p -138.58 152.26 48.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 111.155 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.23 171.79 13.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 11' ' ' VAL . 11.7 p -131.26 127.75 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.8 114.8 5.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -88.5 -19.73 26.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -142.04 141.04 32.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -65.13 136.73 57.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.527 ' HB2' ' CD2' ' A' ' 60' ' ' TYR . 6.1 t80 -137.74 128.72 27.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.6 116.63 31.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.03 123.34 16.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.35 -19.93 41.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -138.42 164.39 29.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.4 mtt -62.61 -36.55 83.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.425 ' HG3' ' CD ' ' A' ' 23' ' ' GLU . 12.9 ptp180 -62.15 -33.9 75.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.425 ' CD ' ' HG3' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -73.4 162.83 28.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.5 tp -123.97 128.5 49.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.7 m -69.67 147.05 51.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.1 mt -127.92 134.52 49.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.0 tpt85 -121.75 137.3 54.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -43.69 104.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.7 -39.2 2.69 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -45.48 117.56 1.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.348 . . . . 0.0 110.851 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.3 t -91.78 114.69 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.766 HG11 ' CE2' ' A' ' 56' ' ' PHE . 38.7 t -98.77 141.49 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.451 ' HG3' HG22 ' A' ' 9' ' ' THR . 39.0 ttt180 -98.78 102.67 14.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.2 mt -57.15 118.72 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -107.16 -48.92 3.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 p -112.9 135.89 53.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.889 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -99.38 -38.91 8.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.463 HD12 ' C ' ' A' ' 38' ' ' ILE . 2.7 pp -122.88 166.61 17.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 129.85 -44.87 1.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -96.21 -143.81 15.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.455 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.41 ' HB3' ' CD1' ' A' ' 44' ' ' TRP . 8.8 t70 -69.96 172.28 8.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -78.17 101.81 7.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.12 35.23 2.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.464 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.41 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 46.7 m95 -137.48 138.85 40.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.776 0.322 . . . . 0.0 110.877 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 27.7 m0 -128.33 163.24 25.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -115.76 117.4 30.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.464 ' HA3' HG12 ' A' ' 32' ' ' VAL . . . -126.19 -156.9 9.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -158.88 117.14 2.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.952 0.406 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.2 t -144.61 151.5 39.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 34.6 t30 46.33 35.12 2.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.52 36.74 92.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.442 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -135.78 130.3 33.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.756 0.313 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.3 mt -122.97 141.99 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.39 -173.33 41.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -87.62 120.41 28.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.743 0.306 . . . . 0.0 110.924 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.766 ' CE2' HG11 ' A' ' 32' ' ' VAL . 23.5 p90 -123.0 144.65 43.7 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.619 0.723 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 119.42 6.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.42 ' HA ' HG22 ' A' ' 61' ' ' VAL . 69.1 p -64.71 -33.4 75.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.4 p -59.64 -15.63 20.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.166 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.527 ' CD2' ' HB2' ' A' ' 16' ' ' PHE . 8.1 m-85 -93.9 -19.57 20.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.42 HG22 ' HA ' ' A' ' 58' ' ' SER . 2.9 m -117.43 176.79 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -142.88 135.24 27.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -76.61 94.51 3.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -40.81 147.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' GLN . . . -143.95 110.03 0.56 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.655 ' H ' HD13 ' A' ' 66' ' ' ILE . 3.0 mm 38.83 28.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' GLY . 21.4 tt0 68.77 44.63 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' GLY . 19.9 t -71.91 165.57 23.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -168.29 -158.22 12.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -25.81 28.21 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.318 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 t -61.57 116.02 4.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 96.1 p -43.82 163.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.821 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 1' ' ' GLY . 83.1 p -36.97 139.92 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -129.15 170.02 14.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.68 -130.37 2.98 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -80.54 102.48 9.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.855 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -105.18 166.39 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.04 -125.69 2.89 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 148.89 52.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.3 p -119.08 146.1 45.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 0.0 111.128 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.54 153.72 50.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 30' ' ' ASP . 14.9 p -121.15 133.98 66.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.083 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.924 ' HB2' HD12 ' A' ' 26' ' ' LEU . . . -67.11 112.45 4.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.504 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 8.4 mmm180 -85.09 -9.79 57.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.504 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 24.3 m-85 -145.19 145.13 31.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.423 ' ND2' ' H ' ' A' ' 15' ' ' ASN . 3.5 p30 -68.52 151.76 46.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.506 ' CZ ' ' HA ' ' A' ' 18' ' ' ALA . 3.3 t80 -154.15 123.93 6.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.84 96.24 10.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.093 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.506 ' HA ' ' CZ ' ' A' ' 16' ' ' PHE . . . -40.74 116.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.8 mmt-85 -59.35 -38.87 81.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -140.63 175.37 9.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.3 mtt -56.71 -45.98 81.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -48.64 -42.36 34.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -71.1 -177.62 1.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.736 HD23 ' HB3' ' A' ' 56' ' ' PHE . 4.9 tp -143.61 123.61 13.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.4 m -73.19 133.89 44.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.924 HD12 ' HB2' ' A' ' 12' ' ' ALA . 3.2 mm? -110.68 143.48 41.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 29' ' ' GLY . 6.9 ttp85 -123.06 141.34 52.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -53.99 87.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' ARG . . . 135.44 -26.25 3.22 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.559 ' O ' HG23 ' A' ' 11' ' ' VAL . 25.0 m-20 -54.21 142.22 26.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 64.0 t -114.97 110.85 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.833 HG11 ' CE2' ' A' ' 56' ' ' PHE . 5.5 t -94.37 149.23 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.2 mtt-85 -110.2 107.08 16.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.8 mt -59.49 101.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -80.4 -56.53 4.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -123.43 127.8 48.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.3 mtm-85 -88.75 -34.01 17.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.4 mm -88.48 64.69 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -166.32 119.36 0.85 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.28 -168.05 22.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 42' ' ' GLN . 1.7 m-20 -78.23 72.52 4.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.742 0.306 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 41' ' ' ASP . 28.6 tp60 34.75 45.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 174.02 -45.75 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.401 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 25.4 m95 -59.8 159.72 8.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 110.923 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.401 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 32.7 m0 -136.32 169.08 18.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -122.29 120.97 35.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.07 -147.84 4.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.488 ' HG3' HD11 ' A' ' 53' ' ' ILE . 10.5 tm-20 -163.79 137.93 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.954 0.407 . . . . 0.0 110.869 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.4 t -161.77 134.58 6.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 60.72 34.55 19.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.88 36.32 91.98 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.6 mtt-85 -135.95 122.96 21.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.488 HD11 ' HG3' ' A' ' 48' ' ' GLU . 4.0 mp -114.97 142.02 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.68 -175.9 39.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -85.17 120.13 26.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.814 0.34 . . . . 0.0 110.918 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.833 ' CE2' HG11 ' A' ' 32' ' ' VAL . 40.5 p90 -119.73 145.76 40.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.672 0.749 . . . . 0.0 110.837 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 119.29 6.26 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.5 p -66.43 -8.07 23.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.42 -11.21 56.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.169 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -102.0 -5.19 24.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.1 m -121.85 161.02 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 64' ' ' GLU . 3.7 tm-20 -121.46 119.11 31.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.96 82.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' GLU . 85.3 mt-10 -46.94 148.47 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.74 -48.93 0.21 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.5 pt -60.48 -16.46 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.732 0.301 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -76.61 126.82 31.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.7 m -98.46 172.14 7.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 140.3 146.35 4.81 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 140.62 42.95 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.362 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -51.3 96.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.8 t -72.97 163.34 28.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.473 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 t -40.87 158.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.858 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.4 p -135.38 138.21 43.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.04 49.6 73.72 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 t -160.06 154.53 23.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -173.95 146.4 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.39 76.5 1.24 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -158.52 49.43 0.42 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.446 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.3 p -138.71 148.99 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 0.0 111.182 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -119.11 161.7 19.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.85 130.63 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 27' ' ' ARG . . . -57.74 102.88 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.436 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 3.8 mmp_? -81.16 -27.92 35.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -140.06 144.88 37.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 41.5 p-10 -63.55 127.15 30.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -137.13 115.46 11.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.27 123.47 31.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.31 115.59 4.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -66.58 -48.97 67.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.829 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -110.9 160.44 16.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.3 ptt? -57.79 -51.13 70.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -46.98 -34.82 5.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -69.38 177.69 2.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 63.9 tp -134.28 125.58 28.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.9 p -68.1 140.25 56.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.512 HD13 ' CG1' ' A' ' 61' ' ' VAL . 44.6 mt -122.48 130.2 52.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.484 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 4.5 tpp85 -121.06 136.33 55.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -39.77 113.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.24 -41.3 2.25 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -45.07 130.34 7.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 78.1 t -100.35 124.85 54.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.7 t -108.23 136.56 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 -94.37 101.66 13.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 83.5 mt -59.59 98.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -81.47 -50.32 9.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.2 m -115.65 152.29 33.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 -115.51 -31.93 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.9 mm -112.97 104.26 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 40' ' ' GLY . . . 169.1 -146.38 10.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.532 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' GLY . . . 34.29 -148.45 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.466 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.439 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . 86.0 m-20 -82.84 -176.94 6.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.729 0.299 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -66.02 99.55 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.04 32.45 8.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.439 ' CD1' ' HB2' ' A' ' 41' ' ' ASP . 24.9 m95 -122.21 150.48 42.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.762 0.315 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.592 ' CZ3' ' HB2' ' A' ' 58' ' ' SER . 23.7 m0 -128.84 169.06 15.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.576 ' HB2' ' CZ3' ' A' ' 55' ' ' TRP . 45.5 tttt -113.7 118.81 35.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -136.73 -152.39 6.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.528 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -172.14 143.47 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 110.914 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.7 t -167.98 132.46 1.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 70.56 38.21 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.66 31.44 80.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -132.08 121.75 24.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.749 0.309 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.0 mt -111.83 129.58 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -175.41 -162.37 26.53 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.576 ' CZ3' ' HB2' ' A' ' 46' ' ' LYS . 75.3 m95 -101.37 131.52 47.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.779 0.323 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -132.51 149.94 74.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.606 0.717 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -176.13 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.349 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.592 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 83.0 p -124.13 -23.01 4.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.0 t -76.9 -27.71 55.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -81.42 -15.77 54.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.512 ' CG1' HD13 ' A' ' 26' ' ' LEU . 3.8 m -119.16 165.34 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.442 ' OE2' ' C ' ' A' ' 63' ' ' GLU . 2.5 tm-20 -115.06 119.88 37.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.442 ' C ' ' OE2' ' A' ' 62' ' ' GLU . 2.4 mp0 -71.2 104.92 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -65.12 126.35 27.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.61 58.16 0.49 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.5 pt -77.61 140.54 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.761 0.315 . . . . 0.0 111.197 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -108.11 143.01 37.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 69' ' ' GLY . 15.9 m -113.9 112.86 24.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 68' ' ' SER . . . 33.94 -96.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.529 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.425 ' N ' ' O ' ' A' ' 68' ' ' SER . 53.4 Cg_endo -69.82 138.48 37.74 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.662 2.241 . . . . 0.0 112.309 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 t -88.69 114.13 24.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.8 t -113.67 113.25 24.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 179.96 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t 69.28 42.71 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.34 . . . . 0.0 110.862 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -65.66 -45.98 80.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.31 -108.79 0.41 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.437 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 m -126.43 104.42 8.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.87 0.367 . . . . 0.0 110.805 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 m -100.83 134.21 44.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.46 -174.56 16.83 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.77 92.99 0.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 48.0 p -147.31 141.15 25.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 111.149 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.28 151.42 50.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.076 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 p -116.39 134.58 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.423 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . . . -67.76 111.5 4.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -90.55 -2.11 57.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -152.2 143.71 23.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -68.43 116.25 8.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -122.11 129.81 52.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.4 125.57 48.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.93 118.05 7.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.21 -29.45 57.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -133.91 159.85 39.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.0 ptp -53.85 -52.15 61.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -48.69 -33.76 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.526 ' OE2' ' CZ3' ' A' ' 44' ' ' TRP . 0.2 OUTLIER -71.96 169.3 16.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.411 HD11 ' CB ' ' A' ' 52' ' ' ARG . 49.8 tp -129.95 129.42 43.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.961 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.2 p -72.24 148.56 45.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.827 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.59 HD11 ' HB2' ' A' ' 56' ' ' PHE . 11.7 mt -135.23 131.88 37.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -117.11 146.56 43.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -49.14 110.39 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.56 -31.82 7.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -51.0 133.46 27.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.2 t -106.02 115.17 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.423 HG12 ' HA3' ' A' ' 47' ' ' GLY . 6.5 t -102.64 125.37 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.415 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 11.0 mpt_? -80.95 129.44 34.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.687 HD12 ' CE3' ' A' ' 45' ' ' TRP . 2.5 mm -81.49 111.12 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -95.38 -53.14 3.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 m -124.47 145.59 49.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.439 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 15.8 mtp180 -102.4 -44.06 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.499 HD12 ' C ' ' A' ' 38' ' ' ILE . 2.3 pp -100.68 167.45 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 147.15 -58.03 0.49 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -113.38 -95.01 2.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 42' ' ' GLN . 10.5 t70 -85.7 166.51 16.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.725 0.298 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.445 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 77.3 mt-30 -86.03 34.49 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.39 -40.66 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.526 ' CZ3' ' OE2' ' A' ' 23' ' ' GLU . 34.4 m95 -64.73 153.44 39.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.902 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.687 ' CE3' HD12 ' A' ' 34' ' ' ILE . 33.3 m0 -132.45 -176.55 4.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -137.27 110.76 7.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.423 ' HA3' HG12 ' A' ' 32' ' ' VAL . . . -129.42 -163.56 11.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.526 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -153.2 125.26 7.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.951 0.405 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 t -149.31 139.56 22.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.167 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.416 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 34.2 t30 60.09 28.71 18.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.57 32.93 64.11 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.531 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.411 ' CB ' HD11 ' A' ' 24' ' ' LEU . 65.2 mtt-85 -132.38 125.96 32.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.784 0.326 . . . . 0.0 110.893 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.4 mt -115.87 137.54 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.44 -174.79 44.44 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.508 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 63.1 m95 -87.45 132.53 33.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.819 0.342 . . . . 0.0 110.915 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.59 ' HB2' HD11 ' A' ' 26' ' ' LEU . 22.5 p90 -135.27 144.14 48.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.664 0.745 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 122.29 8.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.655 2.237 . . . . 0.0 112.396 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.535 ' HA ' HG22 ' A' ' 61' ' ' VAL . 85.8 p -70.76 -7.22 43.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 40.2 p -81.61 -31.27 32.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -85.66 2.69 44.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.535 HG22 ' HA ' ' A' ' 58' ' ' SER . 24.3 m -127.7 165.5 26.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.138 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -119.6 119.52 34.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -72.35 128.76 36.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -101.54 34.95 2.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.478 ' C ' HD12 ' A' ' 66' ' ' ILE . . . -90.11 107.48 3.44 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.451 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.582 ' O ' HG22 ' A' ' 66' ' ' ILE . 3.5 mp 47.72 26.85 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.738 0.304 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -90.49 151.67 21.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.974 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.6 p -99.53 174.21 6.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.14 -158.37 14.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.446 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 143.23 50.16 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.643 2.229 . . . . 0.0 112.342 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.2 t -164.39 143.46 7.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.4 t -95.34 -62.37 1.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -148.68 145.87 27.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.871 0.367 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -49.99 142.6 9.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.81 -83.58 1.69 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t -166.84 142.9 4.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.386 . . . . 0.0 110.833 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.3 p -55.47 126.19 24.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.815 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.68 151.34 23.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 178.85 97.43 0.11 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.653 HG22 ' HG2' ' A' ' 33' ' ' ARG . 44.3 p -139.52 148.42 42.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 111.141 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.93 167.96 20.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.421 ' O ' HG13 ' A' ' 11' ' ' VAL . 12.2 p -124.96 127.02 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.477 ' HA ' HG12 ' A' ' 61' ' ' VAL . . . -60.66 115.68 3.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.472 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 2.2 mmp_? -91.66 -14.76 29.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -149.22 140.12 22.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -67.4 137.37 55.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.521 ' CZ ' ' HA ' ' A' ' 18' ' ' ALA . 4.6 t80 -143.92 117.86 9.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -86.83 98.72 11.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.083 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.521 ' HA ' ' CZ ' ' A' ' 16' ' ' PHE . . . -34.55 108.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -48.75 -50.5 33.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -117.94 171.9 7.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 60.7 mtp -58.4 -45.08 89.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.1 mmp_? -48.25 -54.21 14.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.64 -176.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 55' ' ' TRP . 28.4 tp -138.95 134.13 32.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.7 m -72.13 130.29 40.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.6 mt -110.56 134.5 52.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.443 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 17.7 ttt85 -122.61 141.82 51.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -51.32 108.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.2 -28.22 9.95 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.438 ' CG ' ' HB3' ' A' ' 27' ' ' ARG . 7.6 m-20 -55.93 109.86 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.88 0.371 . . . . 0.0 110.828 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.4 t -83.06 115.78 26.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.461 HG11 ' CE2' ' A' ' 56' ' ' PHE . 7.3 t -102.16 141.59 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.653 ' HG2' HG22 ' A' ' 9' ' ' THR . 32.6 mtm-85 -102.32 101.94 12.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.1 mt -56.36 100.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -80.07 -44.24 20.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 m -125.6 106.35 9.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.413 ' HA ' ' CD1' ' A' ' 45' ' ' TRP . 25.4 ttt-85 -64.83 -37.2 86.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 90.9 mt -134.08 140.99 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 134.02 29.06 0.47 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.495 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.26 -113.74 1.14 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -93.51 -178.48 4.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -38.53 -50.73 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.7 75.07 0.22 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.522 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.418 ' CZ3' ' HD3' ' A' ' 57' ' ' PRO . 10.5 m95 -128.03 -177.41 4.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.731 0.301 . . . . 0.0 110.917 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.482 ' CZ3' ' HB2' ' A' ' 58' ' ' SER . 10.0 m0 -140.93 160.15 40.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -127.79 111.52 13.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.452 ' HA3' HG12 ' A' ' 32' ' ' VAL . . . -134.42 -158.39 8.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -147.9 137.23 22.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.94 0.4 . . . . 0.0 110.928 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.1 t -161.35 131.93 5.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.0 t30 63.53 27.67 15.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.98 34.91 61.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -133.73 120.76 20.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.769 0.319 . . . . 0.0 110.921 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mp -113.17 127.22 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.48 -169.76 40.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.493 ' O ' ' N ' ' A' ' 24' ' ' LEU . 94.9 m95 -88.76 129.74 35.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.834 0.349 . . . . 0.0 110.957 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.461 ' CE2' HG11 ' A' ' 32' ' ' VAL . 28.1 p90 -131.15 143.95 51.5 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.661 0.743 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.418 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 54.0 Cg_endo -69.76 119.39 6.35 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.628 2.219 . . . . 0.0 112.334 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.482 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 80.8 p -67.63 -30.56 70.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.6 p -64.5 -13.58 52.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -94.72 -15.04 24.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.477 HG12 ' HA ' ' A' ' 12' ' ' ALA . 2.6 m -116.69 179.94 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.129 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -142.78 130.04 20.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -71.35 110.27 5.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -67.58 161.01 26.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -179.15 67.02 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.3 pt -59.56 172.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.781 0.324 . . . . 0.0 111.139 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -76.22 133.77 40.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 92.1 p -118.05 159.2 23.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.61 -94.93 0.66 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.42 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -13.88 35.33 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.293 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 p -40.92 137.46 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.5 p -116.5 126.78 53.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.949 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.3 m -120.34 141.63 49.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.378 . . . . 0.0 110.841 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.6 p -131.16 141.5 50.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.52 -56.48 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.462 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -165.38 156.24 13.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.357 . . . . 0.0 110.865 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.9 m -130.37 161.69 30.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.87 54.98 1.63 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -130.45 50.38 0.89 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.598 HG22 ' HG3' ' A' ' 33' ' ' ARG . 70.4 p -120.53 146.64 46.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.806 0.336 . . . . 0.0 111.141 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.91 175.2 7.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.416 ' O ' HG13 ' A' ' 11' ' ' VAL . 13.3 p -131.47 128.86 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.97 115.73 7.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.059 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.565 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 24.1 mmt180 -91.39 -3.5 56.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.565 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 36.3 m-85 -153.12 145.18 23.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 15' ' ' ASN . 3.4 p30 -74.62 115.72 14.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.481 ' HB2' ' CD2' ' A' ' 60' ' ' TYR . 19.4 t80 -115.92 129.82 56.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.63 107.05 17.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.078 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.64 137.89 48.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -86.29 -40.47 15.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.62 170.02 10.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 31.2 mtm -61.56 -44.02 97.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -49.07 -40.0 29.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -71.84 175.37 5.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.535 HD11 ' O ' ' A' ' 52' ' ' ARG . 10.1 tp -135.57 125.78 26.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.6 p -69.52 154.71 41.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.634 HD11 ' HB2' ' A' ' 56' ' ' PHE . 10.7 mt -140.41 138.88 35.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -121.94 139.7 53.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -46.45 105.03 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.31 -35.97 4.01 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -47.81 122.18 4.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -93.75 117.85 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.6 t -101.91 143.89 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.598 ' HG3' HG22 ' A' ' 9' ' ' THR . 26.1 ttm180 -102.71 103.84 14.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.851 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.8 mt -61.01 116.63 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -98.78 -55.45 2.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -114.58 145.12 42.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -98.54 -43.2 6.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.7 pt -107.84 162.97 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.094 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.95 -33.74 2.49 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.31 -153.46 15.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -63.21 175.12 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -76.62 93.83 3.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.02 39.1 0.98 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 38.4 m95 -139.92 144.7 37.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.752 0.31 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.495 ' CZ3' ' HB2' ' A' ' 58' ' ' SER . 33.5 m0 -129.03 170.41 13.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.447 ' HB2' ' CZ3' ' A' ' 55' ' ' TRP . 75.2 tttt -123.67 125.92 45.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.905 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.14 -155.3 6.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.425 ' HG3' ' CG1' ' A' ' 53' ' ' ILE . 18.8 tt0 -159.15 137.25 10.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.947 0.403 . . . . 0.0 110.902 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -161.58 138.03 8.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.4 t30 60.26 31.48 20.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.32 34.4 80.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.535 ' O ' HD11 ' A' ' 24' ' ' LEU . 42.9 mtt85 -134.8 119.85 18.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.425 ' CG1' ' HG3' ' A' ' 48' ' ' GLU . 49.3 mt -110.08 141.05 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 167.78 -170.89 42.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.447 ' CZ3' ' HB2' ' A' ' 46' ' ' LYS . 73.1 m95 -91.52 152.07 20.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.634 ' HB2' HD11 ' A' ' 26' ' ' LEU . 13.3 p90 -161.08 144.67 9.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.646 0.736 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 121.52 8.2 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.731 2.287 . . . . 0.0 112.328 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.495 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 92.0 p -60.94 -23.76 65.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.8 p -64.45 -38.85 92.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.481 ' CD2' ' HB2' ' A' ' 16' ' ' PHE . 10.0 m-85 -66.28 -16.42 64.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 m -120.29 179.59 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -136.86 128.66 29.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -73.26 127.17 31.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -97.18 155.66 16.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -151.91 86.7 0.14 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.717 ' O ' HD13 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -39.06 -42.04 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.77 0.319 . . . . 0.0 111.125 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.48 ' N ' ' CG2' ' A' ' 66' ' ' ILE . 28.8 tt0 -142.47 134.46 27.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.2 p -119.35 124.11 45.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.2 -84.74 0.37 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.543 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 141.64 45.64 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.735 2.29 . . . . 0.0 112.339 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.2 t -91.98 105.14 17.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.4 t -110.41 138.5 46.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 m -116.47 -47.98 2.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.909 0.385 . . . . 0.0 110.849 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m 40.88 43.72 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.76 -158.35 12.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -79.31 84.78 5.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 m -61.15 114.59 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.452 ' O ' HG23 ' A' ' 9' ' ' THR . . . -155.1 154.09 25.27 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 39.92 64.07 1.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.53 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 7' ' ' GLY . 81.7 p -124.3 146.98 48.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.773 0.32 . . . . 0.0 111.147 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.44 161.18 30.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p -120.98 136.89 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.167 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.44 112.76 6.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.568 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 15.4 mmt180 -87.65 -7.66 57.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 47.0 m-85 -154.31 145.41 22.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.96 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -69.74 138.78 53.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CD1' ' N ' ' A' ' 17' ' ' ALA . 3.1 t80 -136.09 133.8 37.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.436 ' N ' ' CD1' ' A' ' 16' ' ' PHE . . . -101.24 99.51 9.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.8 121.62 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -64.81 -41.05 96.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -137.56 172.97 12.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.9 mmt -59.53 -46.68 88.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -43.08 -43.16 4.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -77.32 -179.95 6.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 55' ' ' TRP . 15.0 tp -137.28 123.06 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.5 p -68.01 149.09 50.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.451 HD13 ' CG1' ' A' ' 61' ' ' VAL . 89.7 mt -124.68 134.94 52.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.7 ttt85 -117.71 139.28 51.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -45.15 113.46 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.76 -36.25 4.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.53 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -46.46 117.8 1.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.873 0.368 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.4 t -92.1 109.53 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.835 HG11 ' CE2' ' A' ' 56' ' ' PHE . 3.3 t -93.64 140.57 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.437 ' HG2' HG22 ' A' ' 9' ' ' THR . 53.3 mtm180 -101.86 103.22 13.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.2 mt -61.55 106.15 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -84.48 -56.3 3.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -123.52 145.76 48.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 37' ' ' ARG . 9.0 mtp-105 -106.57 -38.91 6.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.3 pt -93.76 141.93 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 132.84 -39.22 1.77 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.39 -169.46 40.48 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.32 169.17 4.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.823 0.344 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -72.74 89.84 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.52 25.55 1.58 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -140.41 148.7 41.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.699 0.285 . . . . 0.0 110.96 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -128.59 177.66 6.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -130.8 107.47 9.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.81 -142.28 5.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -170.46 141.88 2.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -158.04 133.12 8.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 60.73 37.37 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.8 37.24 93.2 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -134.5 126.35 29.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.2 mp -116.04 136.55 52.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.47 179.94 42.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.423 ' O ' ' N ' ' A' ' 24' ' ' LEU . 57.5 m95 -85.8 129.51 34.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.773 0.321 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.835 ' CE2' HG11 ' A' ' 32' ' ' VAL . 15.9 p90 -133.81 151.68 77.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 122.1 8.78 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.718 2.279 . . . . 0.0 112.348 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.5 p -76.22 -3.61 37.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 p -90.85 -6.47 54.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -104.39 -6.91 20.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.451 ' CG1' HD13 ' A' ' 26' ' ' LEU . 11.1 m -117.91 169.34 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -124.22 123.59 40.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -69.44 98.99 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -97.17 149.56 21.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.57 -89.02 0.1 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.497 HD12 ' N ' ' A' ' 67' ' ' GLN . 0.7 OUTLIER -94.67 125.23 47.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 111.144 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.497 ' N ' HD12 ' A' ' 66' ' ' ILE . 29.5 mt-30 -123.69 138.31 54.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.7 m -98.77 120.73 39.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -85.73 146.73 21.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 109.49 2.31 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.8 t -91.97 154.69 18.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.2 m -118.08 134.96 54.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 -179.979 . . . . . . . . 0 0 . 1 stop_ save_