data_2e9j_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 2e9j _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 93.0 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.765 0.317 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -84.81 173.61 10.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.965 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -168.66 106.67 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.51 -45.96 69.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.0 p -48.22 -31.62 6.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -89.76 30.47 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 76.4 t -115.98 130.25 71.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.1 p -138.85 158.7 43.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.464 ' HB1' ' CD1' ' A' ' 31' ' ' LEU . . . -139.15 146.68 40.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.062 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.6 m -147.96 151.06 35.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.78 -173.81 23.39 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -36.2 11.26 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.664 2.243 . . . . 0.0 112.328 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.5 -25.59 35.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.464 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 10.3 mt -120.2 23.22 11.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.809 0.338 . . . . 0.0 110.882 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.3 t -64.84 126.18 27.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 80.1 p -74.17 -31.85 62.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -60.36 -30.84 69.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.86 155.62 7.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.442 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -126.98 148.61 66.38 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.614 0.721 . . . . 0.0 111.129 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 124.33 11.0 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.654 2.236 . . . . 0.0 112.401 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.71 139.17 47.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.5 t 68.53 25.87 6.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -122.43 136.49 26.58 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.711 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 97.58 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.248 . . . . 0.0 112.336 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.548 ' CG1' ' CE2' ' A' ' 84' ' ' TYR . 13.7 p -110.93 146.49 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -142.79 142.94 31.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.571 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 19.6 p90 -108.01 175.5 5.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.96 138.31 54.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.4 ' CD1' HD21 ' A' ' 56' ' ' LEU . 29.6 mt -112.82 103.43 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.42 115.92 31.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -106.78 125.63 51.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -95.15 -56.48 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -122.12 19.32 10.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.87 -18.47 43.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.88 -138.01 39.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -117.6 132.64 56.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.666 ' N ' ' CE2' ' A' ' 98' ' ' TYR . . . -160.38 138.64 5.63 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.529 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.1 tp -47.14 108.41 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.359 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.4 HD21 ' CD1' ' A' ' 46' ' ' ILE . 6.4 tp -87.24 144.41 26.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.48 140.3 20.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.442 HG22 ' N ' ' A' ' 59' ' ' GLN . 10.2 p -123.58 140.43 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.442 ' N ' HG22 ' A' ' 58' ' ' VAL . 19.4 tt0 -133.97 104.4 6.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.2 mt -99.23 124.9 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.8 p -124.17 164.04 20.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -108.78 175.47 5.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -46.11 -33.29 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -86.75 -25.11 24.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 96.96 44.77 2.77 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -99.86 151.9 37.63 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.558 0.694 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 131.97 22.34 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.423 ' NZ ' ' OD2' ' A' ' 87' ' ' ASP . 17.2 mmtt -114.25 150.35 34.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -73.58 127.64 33.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -132.34 121.2 23.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.7 mt -90.2 146.91 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 p -111.19 122.75 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -111.76 123.63 50.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -102.04 123.62 46.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -106.57 -24.46 12.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.74 30.91 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -122.86 26.72 8.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.821 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 85.02 14.07 70.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.452 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 56.3 p -144.1 170.34 16.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 111.17 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -143.67 133.01 23.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.33 149.74 28.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.102 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.571 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 99.9 t -145.3 120.83 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.453 HG21 ' N ' ' A' ' 84' ' ' TYR . 31.6 m -101.77 142.03 33.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.162 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.573 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 11.4 p90 -147.94 129.49 14.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.2 mt -105.71 96.25 12.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.59 0.71 . . . . 0.0 111.168 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.573 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 54.1 Cg_endo -69.71 97.32 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.256 . . . . 0.0 112.357 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.423 ' OD2' ' NZ ' ' A' ' 68' ' ' LYS . 2.8 m-20 -74.6 -61.18 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -86.13 97.87 10.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.472 ' OG1' ' N ' ' A' ' 90' ' ' GLY . 0.1 OUTLIER -49.12 172.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.472 ' N ' ' OG1' ' A' ' 89' ' ' THR . . . 126.5 -179.8 16.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -61.23 110.56 1.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -100.98 128.09 47.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 5.0 ttm -115.89 108.72 16.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 52.4 mt -97.79 129.44 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -115.41 91.68 0.56 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.497 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 97.1 t -79.19 145.25 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 111.175 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.6 p -145.55 147.11 31.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.666 ' CE2' ' N ' ' A' ' 54' ' ' GLY . 4.5 t80 -133.43 117.82 17.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.55 45.24 96.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.546 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.57 34.5 90.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -149.54 119.85 7.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -74.8 141.49 44.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.3 pt -76.28 153.55 84.17 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.619 0.723 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 1.28 4.59 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.322 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 66.7 mt -93.59 -33.84 13.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.5 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.5 m -81.41 160.8 64.05 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.69 0.757 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.76 179.95 20.9 Favored 'Cis proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.351 -0.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -120.87 132.68 55.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -100.75 120.74 40.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 15.7 mt -137.01 154.48 31.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.427 ' N ' ' HD2' ' A' ' 111' ' ' ARG . 4.8 mpt_? -123.99 121.76 36.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -82.91 108.23 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 69.2 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.4 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.79 0.329 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -67.04 145.92 54.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.09 110.03 4.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.796 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 24' ' ' VAL . . . -62.18 -42.02 98.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.424 ' HA ' ' CD ' ' A' ' 104' ' ' PRO . 8.7 m -48.32 -29.36 3.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.45 ' CD ' ' HB3' ' A' ' 50' ' ' ASP . 37.3 mmtt -84.65 20.56 1.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.411 HG22 ' CB ' ' A' ' 51' ' ' ALA . 95.9 t -114.79 124.07 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.6 p -134.9 149.99 50.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.452 ' HB3' ' CD1' ' A' ' 31' ' ' LEU . . . -134.57 151.44 51.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.4 m -148.35 156.56 42.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.15 -173.37 23.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.406 ' HG2' ' CG2' ' A' ' 42' ' ' VAL . 53.8 Cg_endo -69.77 -36.31 11.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.08 -30.21 46.04 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 26' ' ' ALA . 7.1 mt -114.31 26.16 10.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.7 t -63.96 119.77 10.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.6 p -65.19 -39.29 92.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -59.99 -32.66 71.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.919 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.63 155.9 6.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.0 m -116.8 148.41 42.0 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.637 0.732 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 116.2 4.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.646 2.231 . . . . 0.0 112.372 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.74 158.4 30.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.3 m 52.2 37.41 21.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.467 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 1.7 tm? -143.03 127.28 9.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.551 0.691 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.453 ' HD2' ' CD2' ' A' ' 40' ' ' LEU . 54.4 Cg_endo -69.75 98.48 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.264 . . . . 0.0 112.354 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.561 HG13 ' CE2' ' A' ' 84' ' ' TYR . 8.6 p -109.48 143.21 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.458 ' N ' HG21 ' A' ' 42' ' ' VAL . 10.0 p30 -135.56 143.51 45.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -108.39 -179.45 3.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.06 127.31 37.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.6 mt -98.28 109.58 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -98.46 116.54 30.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -112.45 125.69 54.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -95.21 -56.33 2.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.45 ' HB3' ' CD ' ' A' ' 23' ' ' LYS . 3.1 t0 -122.1 29.83 6.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.411 ' CB ' HG22 ' A' ' 24' ' ' VAL . . . -79.12 12.31 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 45.37 -128.41 8.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -139.99 122.97 16.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -157.82 169.06 34.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.506 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.6 tp -78.65 115.17 18.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.3 tp -87.01 130.48 34.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.25 136.15 54.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.053 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 97.5 t -114.02 123.28 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -123.32 111.75 16.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.46 HD12 ' CB ' ' A' ' 70' ' ' ALA . 71.7 mt -112.54 127.88 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.8 p -128.97 154.6 46.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -114.64 -175.76 2.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -51.0 -27.81 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -79.49 -25.64 41.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.98 12.47 65.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.463 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -95.48 152.96 39.6 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.59 0.709 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 126.11 12.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.265 . . . . 0.0 112.384 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -92.26 177.91 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -95.09 113.26 24.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.46 ' CB ' HD12 ' A' ' 60' ' ' ILE . . . -129.06 150.31 50.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.051 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 26.3 mt -104.41 143.57 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 p -111.15 117.41 54.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -103.0 122.26 44.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -101.37 112.39 24.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -92.76 -29.34 16.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm 57.46 27.4 13.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -122.13 23.41 9.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.12 -25.17 28.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.515 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.9 p -110.91 176.9 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.778 0.323 . . . . 0.0 111.155 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -149.0 143.74 26.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -121.37 135.52 55.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.7 t -132.93 126.02 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.0 m -103.32 139.87 38.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.57 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 7.8 p90 -150.07 127.13 11.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.6 mt -107.93 97.15 19.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.57 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.81 107.92 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.623 2.215 . . . . 0.0 112.346 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.66 -38.47 21.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -92.02 139.48 30.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.0 p -97.15 129.99 44.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 164.29 -125.55 1.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.514 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -110.61 134.72 52.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -124.78 130.43 52.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.8 ttm -119.48 120.63 37.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 18.8 mt -110.74 116.75 53.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -104.11 93.1 0.94 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.7 t -81.83 132.48 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.378 . . . . 0.0 111.158 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 34.4 p -128.33 148.85 50.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -134.45 118.1 17.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 59.3 42.39 97.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.466 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 67.87 30.98 74.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.19 117.21 7.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.88 132.7 47.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 12.8 pt -65.39 154.87 86.74 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.682 0.753 . . . . 0.0 111.081 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.424 ' CD ' ' HA ' ' A' ' 22' ' ' SER . 54.4 Cg_endo -69.74 2.94 3.07 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.713 2.276 . . . . 0.0 112.366 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 32.6 mt -100.2 -28.23 13.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.521 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 2.5 p -83.56 154.72 65.69 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.684 0.754 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.9 Cg_endo -69.77 -177.39 14.46 Favored 'Cis proline' 0 C--N 1.342 0.221 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.372 0.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -123.21 125.67 45.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -93.1 123.43 36.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.403 ' C ' ' HD2' ' A' ' 111' ' ' ARG . 22.2 mt -142.57 157.31 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.403 ' HD2' ' C ' ' A' ' 110' ' ' ILE . 6.2 mpt_? -133.44 126.04 30.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -80.92 110.19 16.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.049 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 80.8 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.7 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.829 0.347 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -61.48 146.94 46.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -144.74 113.11 6.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.49 -46.48 83.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.063 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 m -49.21 -32.26 10.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.902 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.451 ' CE ' ' HB2' ' A' ' 50' ' ' ASP . 29.4 mmmt -87.98 33.59 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.427 ' CG2' ' HB2' ' A' ' 51' ' ' ALA . 62.0 t -125.8 113.4 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.2 p -124.95 164.14 20.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.53 149.59 39.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 m -147.04 148.76 31.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 144.59 -174.81 24.62 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.444 ' HG2' ' CG2' ' A' ' 42' ' ' VAL . 53.8 Cg_endo -69.74 -37.51 9.13 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.661 2.24 . . . . 0.0 112.374 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.4 ' N ' HG22 ' A' ' 42' ' ' VAL . . . -51.87 -32.1 33.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 mt -109.29 24.9 12.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.82 0.343 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.9 t -63.45 117.52 6.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.0 p -64.32 -36.7 84.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -60.16 -34.19 73.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.41 158.5 8.09 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.5 m -118.64 148.53 44.45 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.719 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 117.17 4.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.321 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.32 160.34 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.7 m 47.33 37.52 6.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.463 HD13 ' N ' ' A' ' 41' ' ' PRO . 0.7 OUTLIER -137.33 118.8 10.92 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.638 0.732 . . . . 0.0 110.898 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.463 ' N ' HD13 ' A' ' 40' ' ' LEU . 54.0 Cg_endo -69.72 97.17 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.376 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.486 HG12 ' CE2' ' A' ' 84' ' ' TYR . 11.4 p -106.85 143.32 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.46 ' N ' HG23 ' A' ' 42' ' ' VAL . 31.5 p30 -133.28 145.42 50.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -110.25 -176.04 2.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.04 127.41 36.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.0 mt -97.85 103.28 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -92.97 118.88 31.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.97 124.63 52.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -96.33 -57.12 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.451 ' HB2' ' CE ' ' A' ' 23' ' ' LYS . 4.0 m-20 -122.66 25.61 8.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.427 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . . . -87.35 17.01 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.069 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.27 -131.05 2.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.557 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -137.39 127.92 26.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.953 0.406 . . . . 0.0 110.832 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.45 172.9 33.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.444 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.7 tt -78.93 111.37 15.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.841 0.353 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 tp -89.04 143.6 26.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -127.03 155.34 43.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.056 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 99.7 t -124.75 117.32 49.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -120.57 111.06 17.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.6 mt -119.91 128.67 75.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.0 p -138.5 168.06 20.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.188 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.21 -176.74 2.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -51.29 -36.68 43.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -79.07 -24.29 43.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.34 32.46 7.76 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.538 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -93.55 155.37 40.75 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 147.69 63.32 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.73 2.287 . . . . 0.0 112.282 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -129.92 138.33 50.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -69.3 125.09 25.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.62 152.49 51.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.8 mt -110.26 145.4 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.159 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.0 p -109.93 111.16 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -97.19 111.15 23.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -98.93 126.77 44.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -107.42 -33.45 7.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.69 37.79 22.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -123.81 -13.92 7.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 138.3 -5.08 3.21 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.413 ' C ' ' CD1' ' A' ' 80' ' ' TYR . 24.5 p -137.84 176.3 8.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.769 0.319 . . . . 0.0 111.173 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 79' ' ' THR . 13.7 m-85 -145.92 144.83 30.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.977 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.35 148.85 44.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 84.5 t -143.79 114.14 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 84' ' ' TYR . 59.6 m -90.28 145.53 24.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.564 ' CE1' ' HD3' ' A' ' 86' ' ' PRO . 2.3 p90 -151.55 128.21 10.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.414 ' CG1' ' HB3' ' A' ' 41' ' ' PRO . 27.7 mt -105.56 100.37 26.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.646 0.736 . . . . 0.0 111.107 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.564 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 54.1 Cg_endo -69.81 97.73 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -91.57 25.2 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -143.99 160.52 40.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 35.4 p -118.66 129.86 55.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 150.96 -121.62 1.25 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -117.35 129.78 56.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.799 0.333 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -112.56 114.79 27.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -100.25 126.42 46.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 72.0 mt -120.52 128.24 76.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -116.73 93.44 0.59 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.526 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.4 t -81.89 130.55 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.92 0.391 . . . . 0.0 111.12 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 21.2 p -126.54 145.37 50.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -130.85 118.28 20.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 58.06 49.11 78.22 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.531 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 60.6 36.92 92.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.474 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -154.06 118.43 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.353 . . . . 0.0 110.835 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -68.81 139.39 55.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.1 pt -71.64 151.91 93.59 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.674 0.75 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.41 2.81 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 33.4 mt -99.24 -26.49 14.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.494 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.3 m -85.32 161.45 51.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.9 Cg_endo -69.75 -179.32 18.81 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.331 -0.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -121.43 130.36 53.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -97.15 122.32 40.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 22.6 mt -143.18 161.42 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -148.01 145.74 28.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -91.3 138.88 31.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.088 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 73.1 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 -179.9 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.771 0.32 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.418 ' CE2' ' HA3' ' A' ' 99' ' ' GLY . 14.1 p90 -69.56 157.78 36.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -146.61 120.19 9.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.56 -44.8 73.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -52.55 -28.58 21.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.817 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -87.69 28.78 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.464 HG23 ' CB ' ' A' ' 51' ' ' ALA . 70.6 t -120.87 129.85 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.4 p -144.01 166.37 25.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.446 ' HB3' ' CD1' ' A' ' 31' ' ' LEU . . . -143.23 154.54 43.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.3 m -148.76 148.73 30.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.37 -173.45 24.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -37.07 9.85 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.713 2.275 . . . . 0.0 112.35 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.81 -29.46 54.82 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 26' ' ' ALA . 8.6 mt -117.35 25.42 10.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.953 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.3 t -67.63 109.77 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 t -52.84 -35.73 57.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -59.84 -32.98 71.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.955 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.31 157.88 7.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.9 m -120.08 150.38 51.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 115.31 4.03 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.25 . . . . 0.0 112.336 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.58 163.37 5.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.093 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.3 t 41.1 42.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.812 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.418 ' C ' HD12 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -143.67 124.56 7.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.575 0.702 . . . . 0.0 110.895 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 97.81 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.375 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.571 ' CG1' ' CE2' ' A' ' 84' ' ' TYR . 9.2 p -107.03 148.07 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.446 ' N ' HG22 ' A' ' 42' ' ' VAL . 4.9 p-10 -138.06 139.32 39.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.558 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 8.1 p90 -107.35 -176.2 3.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.61 132.24 46.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.2 mt -107.68 110.23 31.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -107.1 120.43 42.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -108.91 125.69 52.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -94.96 -55.63 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -121.96 32.08 5.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.464 ' CB ' HG23 ' A' ' 24' ' ' VAL . . . -93.65 -21.48 19.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.9 -140.08 35.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -121.3 134.55 55.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -163.46 159.18 31.77 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.8 tp -59.25 106.62 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.374 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.3 tp -93.4 140.58 29.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.56 154.63 45.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.081 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.9 t -121.47 123.14 68.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -125.28 112.98 17.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.4 mt -116.77 140.91 37.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.0 p -137.61 171.71 14.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.03 -175.17 2.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -53.43 -37.68 62.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -81.33 -25.76 36.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.35 40.77 3.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.445 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -96.53 156.3 36.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.569 0.699 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 127.64 14.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.636 2.224 . . . . 0.0 112.354 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -115.98 141.04 48.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -76.64 132.36 39.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.86 149.23 51.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.9 mt -93.12 149.24 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.17 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.4 p -124.64 125.08 69.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -116.01 136.2 53.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -111.11 121.62 45.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -103.63 -36.53 7.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? 64.77 36.38 8.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -131.74 30.6 4.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 80.09 22.47 63.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.511 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.3 p -148.6 176.19 10.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 111.085 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -152.04 136.38 16.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -113.38 143.25 44.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.558 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 69.3 t -141.47 127.58 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.7 m -109.38 145.88 35.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.578 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 9.2 p90 -151.43 134.26 15.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 43.1 mt -108.76 96.55 20.31 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.634 0.73 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.578 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.7 Cg_endo -69.75 91.14 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -93.84 33.33 1.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -153.8 127.96 9.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.1 p -78.94 129.83 34.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 153.07 -143.55 10.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -110.57 136.06 50.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.866 0.365 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -114.15 124.38 51.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -105.89 110.43 22.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.449 HD12 ' CD1' ' A' ' 110' ' ' ILE . 45.0 mt -103.17 124.54 57.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.16 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -110.34 91.56 0.63 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 98.3 t -79.01 130.97 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.946 0.403 . . . . 0.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 29.2 p -129.94 145.49 51.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -133.67 119.51 19.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.418 ' HA3' ' CE2' ' A' ' 19' ' ' TYR . . . 59.99 45.14 96.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 62.52 35.05 91.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -150.35 119.78 6.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -75.01 139.61 43.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 23.2 pt -74.07 153.7 88.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.589 0.709 . . . . 0.0 111.161 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 3.07 2.97 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 105' ' ' LEU . 4.2 mm? -95.95 -31.79 12.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.497 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.5 m -83.23 160.92 58.86 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.673 0.749 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 106' ' ' SER . 54.0 Cg_endo -69.78 170.82 56.71 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.322 0.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -110.33 127.69 55.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -97.57 120.37 37.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.449 ' CD1' HD12 ' A' ' 94' ' ' ILE . 30.6 mt -136.05 150.32 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -122.08 117.04 25.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.14 99.21 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 71.2 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 -179.865 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.7 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.793 0.33 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.482 ' CE2' ' HA3' ' A' ' 99' ' ' GLY . 29.5 p90 -77.72 165.17 24.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -149.74 126.86 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.44 -56.22 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.074 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.7 t -51.24 -22.44 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -83.15 20.04 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.434 HG21 ' CB ' ' A' ' 51' ' ' ALA . 68.0 t -116.05 126.85 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.1 p -132.73 132.35 42.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.57 145.25 41.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.2 m -147.53 152.11 37.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.75 -174.12 23.68 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -34.58 14.46 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.661 2.241 . . . . 0.0 112.393 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.77 -19.42 58.45 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mt -121.13 24.47 10.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 0.0 110.937 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.2 t -71.1 111.42 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.7 p -57.26 -29.24 63.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -64.35 -32.61 74.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.9 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.7 157.85 7.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 m -121.58 146.84 46.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.603 0.715 . . . . 0.0 111.123 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 120.24 7.06 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.715 2.277 . . . . 0.0 112.313 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 39' ' ' SER . . . -63.2 171.42 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' ALA . 51.9 m 36.21 37.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.8 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.448 HD11 ' N ' ' A' ' 41' ' ' PRO . 1.5 tm? -137.69 123.77 13.05 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.63 0.728 . . . . 0.0 110.94 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.448 ' N ' HD11 ' A' ' 40' ' ' LEU . 53.4 Cg_endo -69.77 98.01 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 p -109.36 144.96 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -138.96 139.21 37.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -104.79 -176.41 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.64 133.86 42.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.063 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.2 mt -108.42 106.72 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.91 120.08 39.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -115.06 125.69 53.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -95.05 -52.44 4.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -118.08 28.75 8.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.434 ' CB ' HG21 ' A' ' 24' ' ' VAL . . . -89.79 -20.7 23.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.12 -136.69 43.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -120.66 141.25 50.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.28 146.9 10.21 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.466 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 tt -51.55 105.99 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.943 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.9 tp -86.5 136.87 32.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.21 138.69 49.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.9 t -112.46 108.67 26.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -110.02 117.48 33.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.6 mt -124.56 130.21 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.9 p -136.19 153.76 51.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.1 p30 -114.62 -175.82 2.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.435 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -52.36 -25.83 10.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.435 ' N ' ' OE1' ' A' ' 63' ' ' GLN . 4.6 tp10 -82.45 -23.51 34.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.81 10.14 73.16 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.6 pttt -91.94 152.87 43.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.524 0.678 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 132.05 22.58 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.691 2.261 . . . . 0.0 112.37 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -104.19 150.04 24.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.2 ttm-85 -71.35 121.08 17.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -134.35 146.98 50.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.9 mt -98.39 141.52 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.6 p -106.06 119.93 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.458 ' HB3' ' CB ' ' A' ' 81' ' ' ALA . 1.8 t60 -99.9 123.38 44.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -114.79 111.4 21.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -92.41 -28.61 16.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? 53.65 32.02 13.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -122.91 -10.37 8.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 129.96 22.81 1.1 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.6 p -152.76 178.02 10.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 111.12 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -152.15 125.31 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.458 ' CB ' ' HB3' ' A' ' 73' ' ' HIS . . . -113.1 148.55 35.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 31.9 t -142.62 121.08 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.5 m -100.39 140.02 35.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -148.72 136.56 20.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.409 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 31.0 mt -108.66 104.45 54.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.585 0.707 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 85' ' ' ILE . 53.7 Cg_endo -69.79 88.14 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.56 -57.86 7.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.814 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -74.08 171.67 13.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 42.8 p -123.6 134.45 53.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.103 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 152.42 -121.71 1.21 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.428 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -114.6 141.11 48.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -125.0 127.47 47.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 50.6 ttm -110.64 126.4 54.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 51.8 mt -122.39 124.85 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -113.07 94.4 0.72 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.9 t -80.62 130.66 35.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 111.145 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 17.7 p -129.07 149.36 50.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -139.87 116.9 11.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.482 ' HA3' ' CE2' ' A' ' 19' ' ' TYR . . . 62.36 44.65 97.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.469 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 64.9 26.58 71.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -141.84 118.84 11.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -81.93 130.44 35.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 13.7 pt -59.56 153.29 51.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 111.162 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 3.01 3.02 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -97.08 -25.01 15.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.518 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 4.9 p -82.92 153.35 67.01 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.684 0.754 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.79 -176.94 13.53 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.317 0.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -119.83 131.98 55.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 29.9 mmm-85 -95.96 121.05 37.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.846 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.3 mt -139.68 151.71 22.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -130.11 131.14 45.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.69 119.97 29.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 80.6 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 -179.88 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.4 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.827 0.346 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.469 ' CE1' ' HA3' ' A' ' 99' ' ' GLY . 18.5 p90 -68.77 176.62 2.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -168.31 132.77 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.71 -45.8 16.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 82.4 p -49.32 -31.88 10.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -88.15 24.65 1.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.2 t -113.36 128.8 69.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.0 p -137.91 160.3 39.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.169 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . . . -140.46 147.72 40.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.0 p -147.6 151.42 36.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.25 -178.17 21.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -34.93 13.51 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.735 2.29 . . . . 0.0 112.354 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.466 ' CA ' HG22 ' A' ' 42' ' ' VAL . . . -55.12 -31.84 56.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 26' ' ' ALA . 8.0 mt -108.86 25.11 12.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.818 0.342 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.7 t -65.45 125.27 24.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.3 m -72.01 -35.41 69.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.824 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -61.29 -33.52 73.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.29 154.83 6.46 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.4 m -117.38 151.92 48.66 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.647 0.737 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 116.59 4.63 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.87 161.22 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.086 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t 38.93 45.81 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.473 HD11 ' N ' ' A' ' 41' ' ' PRO . 0.4 OUTLIER -141.03 128.76 12.15 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.659 0.742 . . . . 0.0 110.927 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.473 ' N ' HD11 ' A' ' 40' ' ' LEU . 54.1 Cg_endo -69.77 98.4 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.466 HG22 ' CA ' ' A' ' 30' ' ' GLY . 6.8 p -110.66 149.16 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -143.45 147.41 34.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.556 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 13.2 p90 -113.09 -179.84 3.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.57 133.89 50.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.057 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 30.5 mt -108.22 100.09 10.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -95.09 117.91 30.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -109.97 125.53 52.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.406 ' CG ' ' H ' ' A' ' 50' ' ' ASP . 24.3 ptt180 -95.29 -55.77 2.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.406 ' H ' ' CG ' ' A' ' 49' ' ' ARG . 0.8 OUTLIER -122.15 32.27 5.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.63 -23.91 16.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.049 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.47 -140.23 33.28 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -122.46 132.47 54.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.51 173.93 34.28 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.429 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mt -67.01 99.37 0.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.1 tp -85.91 131.17 34.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.88 153.86 50.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.3 t -131.14 104.72 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -106.09 107.21 18.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.8 mt -111.12 131.22 62.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.1 p -136.8 168.98 18.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.0 -178.64 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -51.09 -38.34 51.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -81.79 -25.78 34.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.5 34.63 5.73 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -90.41 153.39 46.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 123.81 10.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.661 2.241 . . . . 0.0 112.351 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -105.79 159.09 16.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.2 ttm-85 -79.02 125.4 29.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.53 124.55 27.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.2 mt -100.19 147.59 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.4 p -115.66 125.74 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -112.46 134.09 54.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.1 117.94 35.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -101.49 -30.84 11.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.31 30.25 19.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -125.33 30.1 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.17 25.91 58.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.3 p -152.14 174.48 13.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.776 0.322 . . . . 0.0 111.162 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -152.06 134.33 15.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.93 145.84 38.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.062 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.556 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 59.9 t -139.39 117.3 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.447 HG21 ' N ' ' A' ' 84' ' ' TYR . 21.6 m -98.69 144.16 28.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.577 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 7.0 p90 -150.19 132.67 15.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 62.3 mt -106.29 98.2 18.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.584 0.707 . . . . 0.0 111.16 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.577 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.82 98.44 0.69 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -62.73 -66.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -82.89 164.83 20.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.0 p -110.16 140.61 44.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 157.38 -143.65 9.77 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.3 mtt-85 -90.54 125.11 35.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.794 0.33 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -113.85 120.86 42.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 12.1 tpp -108.16 126.17 52.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.426 HG21 ' N ' ' A' ' 95' ' ' GLY . 50.0 mt -121.86 141.14 43.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.155 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.426 ' N ' HG21 ' A' ' 94' ' ' ILE . . . -123.08 96.59 0.55 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.0 t -84.47 118.58 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.955 0.407 . . . . 0.0 111.112 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.1 p -118.94 144.61 46.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -135.66 114.64 12.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.961 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.469 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . 63.32 46.69 92.26 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 59.99 32.92 76.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -148.2 117.38 6.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.02 139.19 39.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 9.3 pt -71.66 155.38 92.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.634 0.731 . . . . 0.0 111.097 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 2.74 3.24 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.67 2.247 . . . . 0.0 112.376 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -101.88 -29.82 11.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.529 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 2.9 p -78.49 154.53 79.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.682 0.753 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 106' ' ' SER . 54.1 Cg_endo -69.71 -177.25 14.07 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.368 -0.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -115.79 125.78 53.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.944 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 44.5 mtt-85 -88.64 122.91 32.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 19.8 mt -143.91 157.46 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -144.65 130.76 19.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.08 117.07 26.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.905 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.3 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.782 0.325 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -65.43 147.5 53.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -148.11 108.69 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.4 -41.36 84.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.2 p -52.51 -27.59 17.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -91.24 33.45 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.933 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.8 t -117.68 122.19 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.4 p -142.12 151.01 41.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.163 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -135.77 152.23 50.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.073 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.9 m -145.74 152.51 39.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.99 -173.15 23.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -35.61 12.4 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.722 2.281 . . . . 0.0 112.324 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.95 -25.27 45.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.7 mt -118.11 20.98 13.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.822 0.344 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.2 t -62.38 117.28 5.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.7 p -67.01 -32.42 73.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -62.69 -30.15 71.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.02 155.51 7.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.4 m -122.58 150.77 58.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.602 0.715 . . . . 0.0 111.136 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 114.85 3.84 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.94 166.26 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t 38.58 43.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.822 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.47 HD13 ' N ' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -141.8 128.0 11.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 0.0 110.897 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.47 ' N ' HD13 ' A' ' 40' ' ' LEU . 54.0 Cg_endo -69.79 97.42 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.635 2.223 . . . . 0.0 112.332 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.47 HG22 ' N ' ' A' ' 43' ' ' ASP . 9.2 p -111.6 143.1 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.47 ' N ' HG22 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -136.3 152.13 50.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -117.76 -176.38 3.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.46 127.71 35.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.051 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.3 mt -96.97 101.96 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -90.68 117.15 29.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -107.93 125.17 51.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -95.73 -57.23 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -122.81 26.2 8.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.57 17.25 2.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.85 -137.07 1.03 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -131.72 119.77 21.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.924 0.393 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -150.53 172.65 30.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.5 tp -76.28 110.89 11.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.884 0.373 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.6 tp -88.2 136.19 33.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -128.21 143.36 51.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.6 t -121.47 142.01 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -142.65 124.03 14.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 93.4 mt -123.43 140.6 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.8 p -141.12 166.14 25.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.09 -176.13 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -54.33 -36.67 64.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -82.19 -25.68 34.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.56 33.31 5.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -96.82 153.24 38.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.64 0.733 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 127.65 14.93 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -113.58 139.96 48.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -55.73 117.38 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -126.75 129.65 48.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.059 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 72' ' ' VAL . 46.7 mt -94.52 134.95 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.4 ' N ' HG23 ' A' ' 71' ' ' ILE . 97.2 t -106.17 105.53 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -83.98 133.06 34.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -112.41 117.57 32.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -103.0 -35.47 8.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm 60.56 29.44 19.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -126.65 32.2 5.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.09 24.24 57.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.1 p -152.64 172.52 16.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 111.115 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -150.21 140.4 22.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -121.82 145.42 48.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.1 t -142.13 124.64 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.7 m -105.1 144.84 31.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.567 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 7.8 p90 -148.67 138.88 22.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.418 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 19.5 mt -114.29 99.97 51.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.617 0.723 . . . . 0.0 111.125 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.567 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.75 93.43 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.679 2.252 . . . . 0.0 112.332 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -52.74 -62.22 1.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -95.68 175.4 6.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 46.3 p -106.37 167.19 10.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.171 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 133.92 -128.39 4.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.44 145.51 44.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 110.897 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -130.0 129.97 44.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.2 tpt -108.19 123.93 49.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 36.4 mt -122.63 125.83 73.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.49 105.84 1.59 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.453 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.8 t -94.0 129.44 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.382 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.7 p -124.63 143.05 50.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -130.57 126.3 36.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 52.49 43.32 58.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.446 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 64.15 32.4 84.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -148.23 117.46 6.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.827 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.24 141.27 38.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 12.1 pt -71.51 155.08 93.03 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.721 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 3.2 2.93 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.655 2.236 . . . . 0.0 112.298 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 62.2 mt -104.29 -24.04 13.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.531 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 4.6 p -83.25 153.65 66.12 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.646 0.736 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.7 Cg_endo -69.73 179.4 22.35 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.346 -0.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -109.92 138.38 46.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -101.92 127.79 48.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.452 HG23 ' N ' ' A' ' 111' ' ' ARG . 15.3 mt -145.35 148.4 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.452 ' N ' HG23 ' A' ' 110' ' ' ILE . 46.4 mtt85 -123.65 114.46 20.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.01 107.85 12.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 -179.905 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.2 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.772 0.32 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -63.72 151.83 40.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.959 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.08 119.34 8.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.466 ' O ' ' CG2' ' A' ' 103' ' ' ILE . . . -64.04 -51.04 66.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.9 m -48.73 -29.69 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -85.85 27.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.436 HG22 ' CB ' ' A' ' 51' ' ' ALA . 53.5 t -116.56 117.43 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.2 p -127.48 153.99 45.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.69 145.84 45.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 87.7 p -138.72 154.79 48.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.96 179.6 18.44 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 -33.33 17.03 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.276 . . . . 0.0 112.35 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.1 -35.08 67.94 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.0 mt -103.16 23.18 12.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.822 0.344 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.7 t -70.54 116.54 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.8 m -85.87 26.88 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -114.45 -34.13 5.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.27 125.29 1.67 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.4 m -110.11 148.87 39.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.729 . . . . 0.0 111.102 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 122.26 8.94 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.345 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.01 163.18 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.6 t 40.75 40.79 1.02 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -132.9 122.82 17.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.559 0.695 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 98.05 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 p -110.18 149.78 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -143.0 141.26 31.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.511 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 7.6 p90 -104.62 -178.45 3.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.93 128.51 48.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.3 mt -101.63 104.15 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.173 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.86 120.7 41.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -109.27 125.29 52.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.053 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -95.56 -56.79 2.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -122.31 24.01 9.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.436 ' CB ' HG22 ' A' ' 24' ' ' VAL . . . -88.95 -5.34 58.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 46.85 -147.47 3.13 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -100.26 129.83 46.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.923 0.392 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.598 ' N ' ' CE2' ' A' ' 98' ' ' TYR . . . -158.77 144.6 10.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tt -52.06 111.34 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.6 tp -91.73 144.18 25.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.56 140.14 24.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.5 t -118.94 107.34 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -107.49 106.86 17.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.8 mt -108.96 131.72 58.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 p -131.98 169.49 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.05 -175.12 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -55.19 -36.1 65.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -83.16 -25.61 31.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.95 44.02 2.32 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.474 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.3 mmtm -103.25 157.52 33.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.607 0.718 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 132.84 24.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.682 2.254 . . . . 0.0 112.396 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -117.37 158.39 24.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -79.19 120.71 24.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.42 130.41 45.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.8 mt -94.68 142.46 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.1 t -112.53 119.59 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -106.02 139.74 40.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -113.78 119.01 35.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -102.86 -30.06 11.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm 61.11 27.86 17.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -122.69 28.12 7.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.96 7.29 87.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.521 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.2 p -133.43 170.78 14.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.8 0.333 . . . . 0.0 111.164 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -149.13 136.78 20.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -113.76 143.64 44.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.511 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 50.6 t -135.06 119.79 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.8 m -100.21 142.28 31.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.565 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 10.0 p90 -150.38 136.79 18.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.8 mt -114.14 99.69 51.19 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.623 0.725 . . . . 0.0 111.135 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.565 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.1 Cg_endo -69.79 110.57 2.59 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.33 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -85.08 -58.47 2.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -85.39 90.77 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 64.1 p -46.82 149.83 0.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.134 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 142.89 -146.29 16.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -78.71 136.75 37.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -132.34 112.5 12.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 38.2 ttm -102.95 131.27 50.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 55.1 mt -125.1 133.99 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -121.63 98.76 0.66 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.467 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.5 t -79.65 151.32 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.955 0.407 . . . . 0.0 111.119 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.8 p -148.52 146.64 28.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.598 ' CE2' ' N ' ' A' ' 54' ' ' GLY . 4.4 t80 -138.71 112.94 8.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 68.16 44.9 74.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.0 30.65 78.11 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.509 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -148.35 121.24 8.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.52 151.91 37.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.466 ' CG2' ' O ' ' A' ' 21' ' ' ALA . 4.6 pt -82.55 157.11 67.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.68 0.752 . . . . 0.0 111.075 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 4.07 2.4 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.722 2.281 . . . . 0.0 112.302 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 86.2 mt -99.52 -36.32 9.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.529 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 59.1 p -70.83 152.84 95.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.669 0.747 . . . . 0.0 110.846 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.2 Cg_endo -69.8 -176.37 12.57 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.297 0.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -121.9 131.44 54.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -94.09 123.61 37.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.447 HG23 ' N ' ' A' ' 111' ' ' ARG . 13.0 mt -144.75 147.12 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.447 ' N ' HG23 ' A' ' 110' ' ' ILE . 32.9 mtt-85 -123.05 148.99 44.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -114.81 109.51 18.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.9 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.104 -179.883 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 89.4 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.773 0.32 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.426 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 4.9 p90 -58.64 167.91 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -156.7 133.33 10.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.59 -44.83 32.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.07 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -57.52 -28.5 63.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -84.46 28.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.436 HG22 ' CB ' ' A' ' 51' ' ' ALA . 41.8 t -120.87 127.7 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.4 p -136.05 142.81 44.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.17 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HB1' ' CD1' ' A' ' 31' ' ' LEU . . . -119.56 142.58 48.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.9 m -145.19 133.97 22.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.79 -176.45 37.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.452 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -32.57 18.01 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.282 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.403 ' CA ' HG22 ' A' ' 42' ' ' VAL . . . -59.47 -29.65 66.88 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.462 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 6.7 mt -106.88 27.81 8.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.2 t -73.99 116.26 14.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.9 p -83.62 13.32 4.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -101.25 -29.91 11.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.23 124.6 2.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.1 m -110.72 150.69 42.13 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.576 0.703 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 127.06 14.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.707 2.271 . . . . 0.0 112.356 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.3 142.95 45.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.5 m 63.32 30.04 15.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -122.78 135.33 25.64 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.667 0.746 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 96.16 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.561 HG12 ' CE2' ' A' ' 84' ' ' TYR . 9.3 p -114.02 143.65 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -143.32 143.53 31.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.536 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 7.9 p90 -105.69 175.54 5.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.33 135.24 55.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.3 mt -110.22 111.36 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.18 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.68 120.97 43.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -109.86 125.53 52.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -95.32 -56.49 2.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -115.27 -7.35 12.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.436 ' CB ' HG22 ' A' ' 24' ' ' VAL . . . -57.98 -16.91 14.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.48 -145.28 42.37 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -111.88 137.24 50.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.84 168.0 40.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.8 tp -65.1 105.61 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 110.895 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.9 tp -93.89 140.26 29.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -142.55 148.39 37.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.027 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 83.9 t -126.24 114.57 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -110.39 111.35 22.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 60.3 mt -112.01 132.76 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 p -136.59 162.16 33.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.29 -179.53 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -50.96 -41.56 59.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -86.63 -25.71 24.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.36 46.8 0.84 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -97.43 152.93 38.49 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.708 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 136.92 34.08 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.337 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.75 131.76 53.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.5 ttm-85 -60.46 122.93 15.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.07 135.7 52.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.054 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.6 mt -106.51 140.91 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 93.7 t -110.17 109.05 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -99.43 115.8 30.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.8 119.87 28.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -99.46 -32.72 10.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt 57.98 29.14 17.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -124.64 29.2 6.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.3 23.87 58.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 39.3 p -151.91 176.75 11.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 111.148 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -152.04 137.94 18.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -114.83 146.32 41.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.536 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 58.3 t -138.53 113.81 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 84' ' ' TYR . 85.7 m -96.92 144.95 26.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.568 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 8.4 p90 -151.43 131.59 13.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 74.4 mt -109.24 99.02 34.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.579 0.704 . . . . 0.0 111.148 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.568 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.8 Cg_endo -69.8 98.24 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.636 2.224 . . . . 0.0 112.337 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -64.28 -60.3 3.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.8 mttp -81.31 174.11 11.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.3 p -116.1 142.32 46.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.87 178.58 21.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.49 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.3 ttp-105 -63.02 117.83 7.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -102.83 122.99 45.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 28.6 tpp -100.66 129.25 46.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 53.5 mt -126.81 131.77 70.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -121.07 100.97 0.77 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 97' ' ' THR . 47.4 t -86.8 139.72 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.4 . . . . 0.0 111.15 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.436 ' N ' HG13 ' A' ' 96' ' ' VAL . 27.8 p -131.79 146.13 51.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -130.36 120.57 24.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.9 46.11 84.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.1 34.72 90.72 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.443 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.41 118.64 5.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.852 0.358 . . . . 0.0 110.834 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.51 144.27 49.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 18.8 pt -81.31 153.24 71.42 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.661 0.743 . . . . 0.0 111.117 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 5.56 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 94.2 mt -99.81 -32.07 11.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.495 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.6 m -83.28 160.63 59.35 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.68 0.752 . . . . 0.0 110.843 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.7 Cg_endo -69.81 -179.04 18.15 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.341 0.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -120.91 130.0 53.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.82 131.79 43.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.411 HG21 ' N ' ' A' ' 111' ' ' ARG . 10.8 mt -147.2 149.3 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.411 ' N ' HG21 ' A' ' 110' ' ' ILE . 66.1 mtm180 -124.24 125.6 44.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.65 110.88 21.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.3 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 -179.91 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.8 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.813 0.34 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.4 ' CE1' ' HA3' ' A' ' 99' ' ' GLY . 3.6 p90 -67.8 148.42 51.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -148.78 110.83 4.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.444 ' O ' ' CG2' ' A' ' 103' ' ' ILE . . . -64.63 -44.54 90.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.063 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.5 p -51.31 -33.04 27.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm -87.52 34.79 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -121.73 126.35 74.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.0 p -139.66 148.95 43.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.44 149.37 52.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.111 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.2 m -149.29 148.71 29.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.55 -173.76 24.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -35.73 12.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.721 2.28 . . . . 0.0 112.294 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.44 -29.74 39.63 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.524 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 mt -117.13 27.41 9.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.7 t -62.41 120.66 11.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.5 p -65.8 -36.83 84.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -60.21 -32.01 70.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 134.69 153.77 6.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 m -116.14 152.38 47.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.628 0.727 . . . . 0.0 111.141 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 127.81 15.09 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.235 . . . . 0.0 112.354 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.28 142.4 47.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.9 m 62.69 27.99 16.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -124.69 132.07 24.24 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.574 0.702 . . . . 0.0 110.937 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 98.49 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.652 2.234 . . . . 0.0 112.371 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.52 HG13 ' CZ ' ' A' ' 84' ' ' TYR . 14.8 p -109.47 146.28 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -143.43 143.41 31.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.829 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.496 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 17.4 p90 -112.7 -177.32 3.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.37 127.44 29.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.099 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.5 mt -97.56 103.12 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.083 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -92.46 108.3 19.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 51' ' ' ALA . . . -109.08 125.15 51.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -95.79 -55.8 2.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -121.76 31.36 6.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.468 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . . . -82.45 12.37 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 47.17 -150.94 2.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -121.25 120.48 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.381 . . . . 0.0 110.931 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -149.06 176.74 27.69 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 tt -86.17 105.34 16.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.824 0.345 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.7 tp -76.08 130.47 38.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.86 125.56 45.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.2 t -98.54 115.72 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -116.5 110.67 18.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 25.5 mt -121.55 122.17 66.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.184 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.5 p -128.49 156.01 43.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -114.68 -178.69 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -50.86 -22.8 2.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.416 ' HG2' ' CE ' ' A' ' 66' ' ' LYS . 3.3 tp10 -84.97 -25.86 27.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.65 12.84 63.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.416 ' CE ' ' HG2' ' A' ' 64' ' ' GLU . 13.1 ptpt -96.1 153.03 39.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 126.62 13.55 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.711 2.274 . . . . 0.0 112.326 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -97.88 153.82 18.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -66.35 120.6 13.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -130.95 152.41 50.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.6 mt -116.3 142.42 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 p -111.82 131.77 62.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -120.64 126.15 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -102.78 120.09 39.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -96.89 -21.94 17.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.72 26.08 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -122.53 23.02 9.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 88.45 24.76 32.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.5 p -150.29 171.54 16.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 111.155 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -146.74 135.74 22.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.95 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.414 ' C ' HG23 ' A' ' 82' ' ' VAL . . . -117.2 144.93 44.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.496 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 97.3 t -142.54 120.11 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.6 m -98.0 138.04 35.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.109 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.526 ' CE1' ' HD3' ' A' ' 86' ' ' PRO . 2.5 p90 -144.04 131.06 20.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 31.4 mt -109.98 103.18 52.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.64 0.733 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.526 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 53.3 Cg_endo -69.77 88.58 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.241 . . . . 0.0 112.342 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -65.71 -40.07 91.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -89.78 168.04 12.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 66.2 p -120.28 137.9 53.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.11 -125.34 2.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -110.98 141.72 44.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.359 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -126.56 125.18 41.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.401 ' HE1' ' CG ' ' A' ' 109' ' ' ARG . 2.3 tpt -104.99 122.21 45.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 77.2 mt -117.14 122.38 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -111.86 95.04 0.78 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.0 t -80.59 108.82 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.921 0.391 . . . . 0.0 111.131 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.407 HG21 ' CG ' ' A' ' 102' ' ' ASP . 40.9 p -107.61 142.62 37.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -132.36 118.89 19.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.4 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . 56.11 47.6 79.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 60.73 35.87 90.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -152.52 117.34 5.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' A' ' 102' ' ' ASP . 0.2 OUTLIER -77.45 137.79 38.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.444 ' CG2' ' O ' ' A' ' 21' ' ' ALA . 14.7 pt -70.69 154.52 94.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.565 0.698 . . . . 0.0 111.167 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 2.73 3.26 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.68 2.254 . . . . 0.0 112.396 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -102.32 -25.2 13.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.5 m -90.33 160.92 38.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.635 0.731 . . . . 0.0 110.85 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.5 Cg_endo -69.7 -179.28 18.62 Favored 'Cis proline' 0 C--O 1.231 0.149 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.331 -0.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -117.41 132.58 56.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.401 ' CG ' ' HE1' ' A' ' 93' ' ' MET . 27.5 mtp180 -96.25 126.31 41.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 40.8 mt -140.39 149.84 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -131.01 126.98 37.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -81.37 112.89 19.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 73.9 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 -179.93 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.1 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.798 0.332 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -69.11 147.59 51.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -147.18 114.36 6.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.836 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.16 -45.15 75.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.4 m -49.19 -32.83 11.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -85.91 32.0 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.8 t -124.6 119.03 55.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.9 p -135.45 157.12 47.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.1 150.47 49.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.03 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.5 m -148.59 137.39 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.36 -173.78 31.4 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.438 ' HG2' ' CG2' ' A' ' 42' ' ' VAL . 53.4 Cg_endo -69.75 -33.68 16.15 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.658 2.239 . . . . 0.0 112.352 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.1 -32.18 56.62 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.0 mt -115.38 28.41 8.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 t -65.1 120.59 12.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.5 p -66.18 -36.99 84.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -59.41 -33.22 70.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.949 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.66 157.99 8.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.459 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -119.75 148.95 47.39 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.63 0.729 . . . . 0.0 111.104 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 122.3 8.99 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.715 2.277 . . . . 0.0 112.38 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.0 162.64 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.4 t 42.27 43.16 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.22 117.48 8.15 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.618 0.723 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HB3' ' CG1' ' A' ' 85' ' ' ILE . 54.1 Cg_endo -69.74 98.1 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.712 2.275 . . . . 0.0 112.323 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.438 ' CG2' ' HG2' ' A' ' 29' ' ' PRO . 4.1 p -108.47 141.86 22.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.401 ' N ' HG21 ' A' ' 42' ' ' VAL . 1.3 p-10 -128.7 145.64 51.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.532 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 22.3 p90 -111.57 -174.89 2.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.39 125.35 24.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 34.4 mt -94.92 101.46 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.088 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.25 115.56 26.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 51' ' ' ALA . . . -114.0 125.6 54.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 46.3 mtm180 -95.3 -56.61 2.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.15 29.89 6.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.468 ' HB3' ' CB ' ' A' ' 48' ' ' ALA . . . -81.24 14.77 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.08 -150.39 0.31 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.532 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -116.33 124.67 50.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.77 169.66 34.06 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 tt -80.81 106.27 12.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.972 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 tp -76.39 141.96 41.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.9 141.37 40.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.7 t -126.52 117.54 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -117.57 112.24 20.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.4 mt -110.32 140.97 27.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.3 p -141.91 173.17 11.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.169 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.82 -175.66 2.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -52.86 -38.7 61.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -80.38 -23.16 40.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.77 35.7 5.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.467 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -95.48 154.92 39.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.614 0.721 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 132.19 22.78 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -116.9 147.95 41.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -67.69 120.37 13.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -128.65 124.78 36.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.079 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.4 mt -87.3 145.03 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.9 p -109.69 125.8 66.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -111.88 132.05 54.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -113.14 121.07 43.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -107.19 -32.67 7.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? 61.38 34.85 18.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -128.71 25.91 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 86.02 9.25 77.54 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.0 p -135.83 174.46 10.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.813 0.339 . . . . 0.0 111.113 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -151.71 138.39 18.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.39 137.69 54.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.076 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.532 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 80.9 t -133.63 120.87 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 57.1 m -94.59 144.51 25.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.565 ' CE1' ' HD3' ' A' ' 86' ' ' PRO . 2.5 p90 -152.27 134.57 15.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.416 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 42.2 mt -111.1 102.72 53.56 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.649 0.738 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.565 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 53.9 Cg_endo -69.71 104.54 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -92.3 -52.08 4.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.01 93.62 6.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.8 p -48.18 160.93 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.91 -129.6 6.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.89 144.97 31.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.838 0.351 . . . . 0.0 110.82 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.499 ' CE2' ' HB3' ' A' ' 86' ' ' PRO . 22.8 m-85 -128.7 112.57 14.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.75 122.88 42.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.411 HD11 ' CD1' ' A' ' 110' ' ' ILE . 46.2 mt -114.4 122.9 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -110.28 89.38 0.55 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.8 t -80.11 120.15 30.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.888 0.375 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.5 p -117.46 140.96 48.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -126.44 127.73 45.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 49.12 45.16 33.85 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.443 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.35 33.41 87.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -148.02 117.25 6.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -66.44 132.72 48.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.6 pt -68.64 150.43 97.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.664 0.745 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 2.77 3.22 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.716 2.278 . . . . 0.0 112.375 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -101.22 -20.8 15.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.495 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.5 m -91.77 160.96 35.11 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.72 0.772 . . . . 0.0 110.836 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.9 Cg_endo -69.74 -179.12 18.25 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.333 -0.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -121.79 122.01 38.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.89 134.24 34.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.411 ' CD1' HD11 ' A' ' 94' ' ' ILE . 17.4 mt -152.43 147.02 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -132.18 128.77 38.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -82.11 119.94 24.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 67.6 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 -179.908 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.2 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.78 0.324 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -69.07 147.13 51.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -147.43 112.32 5.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.39 -49.12 75.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.47 ' HA ' ' CD ' ' A' ' 104' ' ' PRO . 2.8 m -48.07 -29.77 3.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.406 ' CD ' ' HB3' ' A' ' 50' ' ' ASP . 52.2 mmtt -84.31 26.1 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.5 t -120.54 129.25 75.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.9 p -135.99 156.0 49.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.28 141.4 39.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 m -143.11 150.95 40.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.75 -174.1 24.33 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -35.43 12.86 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.256 . . . . 0.0 112.354 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.91 -23.24 63.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.3 mt -117.27 23.21 11.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.8 t -65.64 119.66 11.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.7 p -63.63 -32.36 73.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -62.12 -27.53 69.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.43 158.36 9.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.6 m -119.86 147.9 45.26 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.606 0.717 . . . . 0.0 111.109 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 119.59 6.51 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.321 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 39' ' ' SER . . . -58.32 165.06 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 38' ' ' ALA . 53.8 m 37.28 38.98 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.415 ' C ' HD12 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -132.66 119.39 16.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 110.911 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 96.35 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.723 2.282 . . . . 0.0 112.292 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -109.84 152.82 11.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -141.96 144.31 33.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.43 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 4.9 p90 -111.86 -178.33 3.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.61 131.92 52.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.4 mt -108.73 111.71 37.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -108.77 120.54 42.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.411 ' CB ' ' HB3' ' A' ' 51' ' ' ALA . . . -106.95 125.72 51.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -95.05 -56.3 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.406 ' HB3' ' CD ' ' A' ' 23' ' ' LYS . 7.5 t0 -122.01 25.81 8.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.411 ' HB3' ' CB ' ' A' ' 48' ' ' ALA . . . -82.13 16.5 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.105 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.38 -150.54 0.13 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -104.44 118.71 37.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.487 ' HA3' ' CE2' ' A' ' 98' ' ' TYR . . . -154.98 164.91 32.01 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 tt -90.28 122.75 33.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.9 tp -81.97 134.21 35.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -128.3 125.21 38.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 97.9 t -108.61 130.07 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -128.5 110.89 12.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 29.6 mt -110.3 135.61 48.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.5 p -137.0 163.92 29.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.86 -176.61 3.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -53.26 -38.76 63.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -80.49 -25.58 38.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.35 37.98 4.4 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -97.91 153.37 38.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.568 0.699 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 135.31 30.15 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -118.87 136.15 54.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -60.13 115.52 3.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -118.78 136.45 53.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 58.1 mt -96.88 136.76 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.1 t -110.13 106.77 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.164 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -86.67 129.9 34.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -109.45 115.69 30.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -103.28 -25.01 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 57.67 31.59 20.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -124.7 28.8 6.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 90.43 -29.8 6.44 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 50.5 p -98.37 176.5 5.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.752 0.31 . . . . 0.0 111.177 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -151.73 134.82 15.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.93 143.29 40.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.08 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.43 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 47.5 t -138.81 119.31 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.456 HG23 ' N ' ' A' ' 84' ' ' TYR . 14.1 m -101.05 146.7 27.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.456 ' N ' HG23 ' A' ' 83' ' ' THR . 22.5 p90 -151.42 128.55 11.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 43.8 mt -103.33 96.54 8.56 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.669 0.747 . . . . 0.0 111.181 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.427 ' HD3' ' CD2' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.72 95.05 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.701 2.267 . . . . 0.0 112.369 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.17 -64.67 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -69.26 176.29 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 73.4 p -127.55 147.88 50.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 143.83 -136.5 6.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -100.48 127.82 46.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -110.04 134.47 52.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 7.6 ttm -118.73 113.5 21.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.418 HD13 ' CD1' ' A' ' 110' ' ' ILE . 52.3 mt -112.34 120.06 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -107.21 92.31 0.76 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.5 t -82.23 134.17 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.936 0.398 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.6 p -135.98 147.89 48.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.487 ' CE2' ' HA3' ' A' ' 54' ' ' GLY . 23.5 t80 -132.81 122.81 25.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.67 39.47 97.95 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.447 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 66.54 30.05 75.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.499 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -144.39 120.34 10.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.58 145.27 45.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.5 HD13 ' CE2' ' A' ' 108' ' ' TYR . 7.0 pt -73.39 155.93 89.33 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.65 0.738 . . . . 0.0 111.119 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.47 ' CD ' ' HA ' ' A' ' 22' ' ' SER . 53.6 Cg_endo -69.76 3.03 3.0 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.702 2.268 . . . . 0.0 112.385 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -105.04 -29.26 10.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.534 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 72.5 p -68.33 152.45 96.55 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.677 0.751 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.4 Cg_endo -69.8 -176.67 13.08 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.293 0.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.5 ' CE2' HD13 ' A' ' 103' ' ' ILE . 28.8 m-85 -118.17 115.24 24.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -85.28 118.84 25.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.418 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.9 mt -144.15 152.17 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.082 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -124.95 154.27 41.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -108.51 100.1 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.072 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 63.3 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.899 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.1 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.779 0.323 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -65.85 159.38 25.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -150.03 110.94 4.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.49 -46.61 88.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.07 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.3 m -51.31 -31.29 21.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -85.39 28.35 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.422 HG21 ' CB ' ' A' ' 51' ' ' ALA . 98.1 t -115.6 126.64 73.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.8 p -131.42 159.0 39.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.91 147.94 42.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.094 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.8 m -147.27 149.65 33.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.77 -174.7 23.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -37.47 9.21 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.88 -34.74 38.25 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.527 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 mt -111.14 24.52 12.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.4 t -61.22 120.7 10.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.6 t -64.35 -38.16 90.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -59.14 -33.75 71.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.943 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.34 158.51 8.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 m -117.7 149.08 44.43 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.58 0.705 . . . . 0.0 111.131 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 119.65 6.56 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.84 162.34 2.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.086 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 t 42.08 43.23 2.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.417 ' C ' HD12 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -141.76 123.26 8.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.567 0.699 . . . . 0.0 110.946 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 102.69 1.05 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.738 2.292 . . . . 0.0 112.337 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.571 HG13 ' CE2' ' A' ' 84' ' ' TYR . 9.7 p -114.08 142.96 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.455 ' N ' HG22 ' A' ' 42' ' ' VAL . 2.7 p30 -135.2 148.33 49.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.541 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 13.0 p90 -112.19 -177.6 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.6 123.63 29.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.6 mt -95.61 101.96 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.6 118.56 33.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 51' ' ' ALA . . . -111.28 125.66 54.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.075 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -95.17 -55.95 2.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -122.1 32.17 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.443 ' HB3' ' CB ' ' A' ' 48' ' ' ALA . . . -93.66 -21.07 19.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.19 -144.12 44.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.435 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -117.64 143.69 45.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.929 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -173.61 154.36 19.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.2 tp -52.66 109.53 0.41 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.858 0.361 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.8 tp -90.85 136.05 33.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.02 146.77 50.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.0 t -123.07 119.62 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.18 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -117.97 109.02 15.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 58.1 mt -115.66 133.84 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.0 p -137.48 170.2 16.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -103.54 173.77 6.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.845 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -44.4 -44.31 8.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -81.67 -24.53 36.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.11 42.54 1.51 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.1 mtmm -97.83 150.21 36.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.559 0.695 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 138.91 39.0 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.386 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -123.74 157.64 33.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -79.73 120.71 24.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -124.05 138.6 54.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.5 mt -106.35 148.77 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 p -117.76 125.77 74.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -117.49 130.63 56.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.814 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -102.4 121.58 42.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -101.83 -31.63 10.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt 57.77 29.86 18.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -124.57 28.9 6.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.44 24.1 57.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.6 p -150.86 177.92 9.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 111.151 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -151.74 131.26 13.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.15 147.53 32.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.541 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 48.1 t -141.95 117.24 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 17.4 m -98.48 144.29 27.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.572 ' CE1' ' HD3' ' A' ' 86' ' ' PRO . 5.5 p90 -150.56 136.84 18.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.9 mt -113.69 100.45 52.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.668 0.747 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.572 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 54.0 Cg_endo -69.73 105.75 1.53 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.358 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.07 -55.91 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.889 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -75.7 170.45 16.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 70.2 p -117.62 140.67 49.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.33 -129.18 3.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -112.38 148.53 34.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -129.12 139.95 51.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 50.8 ttm -115.45 117.4 30.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 48.1 mt -110.78 117.94 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -107.59 91.87 0.72 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.542 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 80.8 t -78.92 145.7 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.895 0.378 . . . . 0.0 111.14 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.2 p -144.32 146.06 32.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -132.58 114.2 13.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.14 45.49 80.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.535 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 62.78 35.42 91.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.536 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -143.82 147.52 34.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.81 133.07 43.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.4 pt -71.8 150.52 93.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.595 0.712 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 3.38 2.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.369 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.2 mt -99.16 -31.14 11.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.496 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.5 m -81.6 160.88 63.35 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.642 0.734 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.6 Cg_endo -69.72 -179.08 18.11 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.343 -0.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -119.57 130.21 55.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.0 mtp-105 -98.45 120.35 38.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.454 HG23 ' N ' ' A' ' 111' ' ' ARG . 39.2 mt -134.35 155.17 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.454 ' N ' HG23 ' A' ' 110' ' ' ILE . 16.2 mtp-105 -129.75 117.97 21.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -80.56 98.48 7.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 61.9 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 -179.894 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.2 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.764 0.316 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -69.44 156.93 38.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -151.22 122.92 8.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.24 -49.62 59.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -48.03 -30.59 4.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -85.55 29.56 0.68 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 69.0 t -116.01 129.82 71.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.4 p -140.21 140.75 35.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.448 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . . . -129.24 151.23 50.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -148.57 162.36 39.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 134.56 -173.03 21.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -35.62 12.16 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.245 . . . . 0.0 112.335 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.46 -30.31 49.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.435 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.448 ' CD1' ' HB2' ' A' ' 26' ' ' ALA . 5.5 mt -116.34 29.18 8.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.855 0.359 . . . . 0.0 110.935 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 t -65.81 116.54 7.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.1 p -61.03 -38.57 86.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -59.92 -34.0 72.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.87 158.53 7.57 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.1 m -116.72 150.86 46.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.716 . . . . 0.0 111.147 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 114.83 3.83 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.664 2.242 . . . . 0.0 112.344 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 39' ' ' SER . . . -57.79 164.94 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 38' ' ' ALA . 7.0 t 35.28 39.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.423 ' C ' HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -137.47 124.97 14.04 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.601 0.715 . . . . 0.0 110.938 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 96.55 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.7 2.266 . . . . 0.0 112.323 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.475 HG22 ' N ' ' A' ' 43' ' ' ASP . 7.2 p -107.91 140.93 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.143 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.475 ' N ' HG22 ' A' ' 42' ' ' VAL . 5.5 p-10 -131.45 152.07 51.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.441 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 12.7 p90 -117.83 -178.92 3.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.0 127.29 39.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.3 mt -97.44 103.63 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -95.97 118.94 33.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.448 ' CB ' ' HB3' ' A' ' 51' ' ' ALA . . . -112.6 125.59 54.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.402 ' CG ' ' H ' ' A' ' 50' ' ' ASP . 31.2 ptt180 -95.28 -55.46 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.402 ' H ' ' CG ' ' A' ' 49' ' ' ARG . 22.1 m-20 -122.18 32.19 5.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.448 ' HB3' ' CB ' ' A' ' 48' ' ' ALA . . . -95.33 -20.35 19.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.2 -142.25 42.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -119.61 137.5 53.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.907 0.384 . . . . 0.0 110.902 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.73 162.01 34.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.407 ' C ' HD21 ' A' ' 55' ' ' LEU . 4.7 tt -61.67 107.11 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.1 tp -87.63 134.82 33.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.2 128.34 39.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.1 t -97.09 131.69 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -134.15 117.13 16.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.2 mt -128.87 132.07 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.8 p -135.84 162.39 32.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -94.27 179.83 5.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -52.7 -39.84 62.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -82.84 -24.87 33.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.65 42.39 1.72 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -96.58 152.67 38.73 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.703 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 134.66 28.57 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.66 2.24 . . . . 0.0 112.336 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -126.82 131.67 51.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.2 ttm-85 -73.58 131.91 42.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.95 140.83 44.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.7 mt -84.4 149.51 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -122.89 114.78 43.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -102.46 126.02 49.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -102.3 109.49 21.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -90.77 -28.07 18.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? 58.32 30.12 19.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -124.05 28.63 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 93.32 -30.74 6.92 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.2 p -102.93 176.11 5.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 111.097 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -147.42 140.14 24.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.28 141.02 45.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.066 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.441 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 86.6 t -142.23 120.52 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 92.4 m -100.14 144.54 29.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -152.1 129.4 11.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.9 mt -103.6 106.06 50.37 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.662 0.744 . . . . 0.0 111.085 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 93.11 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.26 . . . . 0.0 112.357 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -78.78 -46.49 18.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -88.24 85.59 6.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 61.9 p -49.41 140.23 10.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 143.54 -128.44 3.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.446 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -99.41 141.37 32.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -133.37 134.96 44.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.447 ' CG ' ' HB2' ' A' ' 107' ' ' PRO . 34.4 ttm -120.9 111.64 17.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 27.4 mt -103.38 132.71 49.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.066 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -117.29 94.84 0.64 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.458 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 97' ' ' THR . 95.7 t -83.04 141.4 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 0.0 111.14 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.465 ' N ' HG12 ' A' ' 96' ' ' VAL . 24.9 p -138.92 147.24 42.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -136.81 112.95 9.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.99 44.89 59.57 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 61.84 32.98 83.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.452 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -151.41 117.25 5.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.65 143.29 49.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 21.4 pt -74.79 154.04 87.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.58 0.705 . . . . 0.0 111.183 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 6.36 1.35 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.0 mt -101.44 -26.34 13.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.512 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 2.1 p -83.91 155.27 64.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.653 0.74 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.76 -176.58 12.88 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.373 -0.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -117.71 133.41 55.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -95.6 117.29 30.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 38.9 mt -138.97 149.76 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -126.34 118.75 25.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -81.11 108.46 14.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.5 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 -179.867 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 87.1 m . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.798 0.333 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -68.42 170.06 9.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -154.86 121.8 5.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.01 -49.77 41.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.8 m -48.31 -27.34 2.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.47 ' CE ' ' HB3' ' A' ' 50' ' ' ASP . 21.2 mmmt -88.8 26.97 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.457 ' CG2' ' HB2' ' A' ' 51' ' ' ALA . 79.0 t -119.74 124.87 73.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.8 p -141.01 163.33 33.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . . . -141.5 154.03 45.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -147.0 150.39 35.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.69 -173.76 23.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.45 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -36.79 10.05 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.251 . . . . 0.0 112.325 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.87 -33.73 43.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.424 ' CD1' ' HB2' ' A' ' 26' ' ' ALA . 6.6 mt -112.68 27.14 9.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.787 0.327 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.2 t -64.95 123.17 18.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 t -72.76 -35.4 67.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -61.38 -31.79 71.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.24 157.01 7.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.0 m -120.39 151.09 53.15 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 116.3 4.5 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.378 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.12 153.23 26.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.5 t 45.36 41.95 6.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.452 ' CD1' ' C ' ' A' ' 40' ' ' LEU . 1.7 tm? -139.68 126.79 12.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.632 0.73 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.43 ' HD2' ' CD2' ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.8 100.12 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.519 HG11 ' CE2' ' A' ' 84' ' ' TYR . 9.4 p -108.91 145.31 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.27 142.63 41.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.497 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 10.4 p90 -107.98 -178.8 3.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.35 131.93 50.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.3 mt -106.37 106.38 20.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -102.06 121.11 41.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.451 ' HB2' ' CB ' ' A' ' 51' ' ' ALA . . . -110.62 127.75 55.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -94.62 -56.46 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.47 ' HB3' ' CE ' ' A' ' 23' ' ' LYS . 6.6 t0 -122.11 18.86 10.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.457 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . . . -74.08 -28.49 61.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.072 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.33 -146.53 48.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -101.03 120.02 39.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.379 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.514 ' HA3' ' CE2' ' A' ' 98' ' ' TYR . . . -147.67 146.38 16.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 tp -58.41 106.59 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.1 tp -87.59 135.83 33.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.77 143.12 46.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.5 t -112.68 115.21 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.143 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -118.94 107.17 13.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.4 mt -117.94 129.76 73.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.14 154.53 50.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -83.91 -178.11 6.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -55.05 -39.23 68.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -86.34 -23.42 26.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.84 45.02 1.06 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.9 mtpt -97.95 150.81 37.14 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.556 0.693 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 135.78 31.37 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.697 2.264 . . . . 0.0 112.377 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.418 ' NZ ' ' HA ' ' A' ' 68' ' ' LYS . 1.4 mmmp? -124.08 129.96 51.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -61.72 116.98 5.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -119.15 133.47 55.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 72' ' ' VAL . 54.6 mt -93.24 146.68 6.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.418 ' N ' HG23 ' A' ' 71' ' ' ILE . 92.7 t -113.53 118.25 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -106.66 124.69 49.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -103.54 120.57 41.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -103.65 -34.41 8.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm 59.29 30.74 20.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -125.21 29.39 6.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.17 22.76 58.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.5 p -151.12 178.29 9.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.78 0.324 . . . . 0.0 111.165 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -152.1 139.72 19.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -119.83 143.69 47.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.497 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 61.1 t -138.24 129.13 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 87.4 m -109.45 142.59 40.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.175 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.54 ' CE1' ' HD3' ' A' ' 86' ' ' PRO . 4.4 p90 -148.94 137.82 21.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.1 mt -114.39 102.82 55.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.711 . . . . 0.0 111.143 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.54 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 54.2 Cg_endo -69.76 89.86 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.311 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.83 -54.42 45.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.13 138.91 32.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.4 p -75.31 171.03 14.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 124.95 -140.18 12.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -114.34 145.91 41.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.847 0.356 . . . . 0.0 110.847 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -125.73 139.72 53.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.949 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 44.0 ttm -115.82 106.92 14.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.437 HD11 ' CD1' ' A' ' 110' ' ' ILE . 48.7 mt -103.08 125.87 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.16 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -115.64 96.11 0.73 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.49 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 97' ' ' THR . 89.6 t -80.22 136.8 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 111.12 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.456 ' N ' HG13 ' A' ' 96' ' ' VAL . 35.9 p -133.03 143.6 49.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.514 ' CE2' ' HA3' ' A' ' 54' ' ' GLY . 4.5 t80 -131.9 115.24 15.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.64 42.89 87.05 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.27 33.07 86.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.437 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -148.54 118.31 7.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.751 0.31 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.99 141.14 57.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 29.6 pt -77.8 152.97 80.58 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.607 0.718 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 2.26 3.71 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.673 2.248 . . . . 0.0 112.297 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -96.74 -25.8 15.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.951 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.499 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.4 m -89.49 160.82 41.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.682 0.753 . . . . 0.0 110.816 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.76 179.91 20.97 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.356 -0.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -118.46 128.71 54.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -95.77 118.08 31.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.437 ' CD1' HD11 ' A' ' 94' ' ' ILE . 21.2 mt -134.42 148.86 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -127.4 128.77 46.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -86.78 105.02 16.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 -179.881 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.807 0.337 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -60.47 157.76 13.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -158.63 120.61 3.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.89 -47.56 65.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.1 p -49.45 -27.75 4.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -88.2 30.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -123.05 118.27 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.1 p -134.6 148.42 50.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.401 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . . . -133.72 149.49 51.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.09 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.2 m -147.76 153.3 39.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.74 -172.72 23.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -34.56 14.14 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.723 2.282 . . . . 0.0 112.316 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.66 -28.74 46.99 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.432 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.401 ' CD1' ' HB2' ' A' ' 26' ' ' ALA . 7.9 mt -115.58 26.0 10.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.935 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.1 t -68.01 112.65 5.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.1 p -59.72 -32.7 70.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -62.45 -28.16 69.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.62 159.31 9.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -120.0 151.81 53.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.624 0.726 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 117.58 5.17 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.25 . . . . 0.0 112.348 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 39' ' ' SER . . . -57.36 163.07 2.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' ALA . 9.9 m 35.55 42.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.416 ' C ' HD11 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -137.22 125.49 14.64 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.568 0.699 . . . . 0.0 110.942 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 99.33 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.694 2.262 . . . . 0.0 112.347 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.468 HG21 ' N ' ' A' ' 43' ' ' ASP . 11.9 p -112.36 145.39 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.147 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.468 ' N ' HG21 ' A' ' 42' ' ' VAL . 12.2 p-10 -139.73 143.26 36.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.567 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 19.1 p90 -106.35 179.79 4.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.73 132.69 51.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 62.3 mt -100.92 111.16 29.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.71 111.66 23.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.447 ' CB ' ' HB1' ' A' ' 51' ' ' ALA . . . -115.36 125.16 52.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -95.07 -55.53 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -122.2 33.4 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.447 ' HB1' ' CB ' ' A' ' 48' ' ' ALA . . . -77.96 10.85 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.077 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 44.98 -143.45 2.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.443 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -127.18 106.99 9.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 110.856 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -142.68 171.02 24.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.444 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.8 tt -74.83 117.24 16.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 39.5 tp -97.94 142.29 29.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -158.48 142.74 15.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.432 HG21 ' N ' ' A' ' 59' ' ' GLN . 14.5 p -111.47 141.66 26.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.432 ' N ' HG21 ' A' ' 58' ' ' VAL . 23.6 tt0 -123.07 102.33 7.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.1 mt -103.82 136.0 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 p -142.09 165.95 26.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -96.0 174.65 6.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -47.63 -40.94 20.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -82.99 -25.75 31.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.28 39.37 1.66 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.3 mttp -86.9 152.17 53.24 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.575 0.702 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 129.18 17.16 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.703 2.269 . . . . 0.0 112.324 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -114.79 147.91 39.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -83.84 110.78 18.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -111.62 126.82 55.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 30.9 mt -89.99 145.34 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.1 p -113.93 125.71 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -110.85 138.33 47.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -115.33 116.85 28.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -102.64 -29.56 11.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? 59.73 30.0 19.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -125.82 30.74 5.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.841 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 77.67 26.9 59.97 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.9 p -152.64 173.46 15.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 111.145 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -150.52 139.57 21.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -119.67 146.13 45.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.046 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.567 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 89.9 t -135.2 123.97 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 81.9 m -104.11 138.39 40.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.45 ' CE1' ' HD3' ' A' ' 86' ' ' PRO . 2.0 p90 -150.9 140.34 21.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.4 mt -114.91 106.95 51.02 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.623 0.725 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.45 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 53.4 Cg_endo -69.74 107.44 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -83.06 -60.06 2.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -79.77 153.89 28.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 80.3 p -103.55 143.55 32.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.02 -128.5 2.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.411 ' N ' ' HD3' ' A' ' 91' ' ' ARG . 1.5 mpp_? -114.21 132.58 56.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.782 0.325 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.04 130.97 57.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.446 ' CE ' ' HB2' ' A' ' 107' ' ' PRO . 2.8 tpt -112.6 119.24 37.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.44 ' CD1' HD12 ' A' ' 110' ' ' ILE . 39.8 mt -118.24 147.19 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.146 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -136.53 102.69 0.41 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.5 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.1 t -82.79 112.31 20.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.89 0.376 . . . . 0.0 111.102 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 33.2 p -108.66 135.23 50.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -124.99 120.55 31.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.7 47.69 83.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 60.5 36.57 91.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.461 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -153.24 117.39 4.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.37 146.26 40.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.6 pt -75.11 157.1 85.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.606 0.717 . . . . 0.0 111.145 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -2.31 9.96 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.337 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 19.3 mt -95.55 -38.93 10.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.524 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 12.1 p -65.8 155.18 87.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.681 0.753 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.72 -177.25 14.07 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.372 -0.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -118.36 124.8 48.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 18.3 ptt85 -87.55 122.83 31.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.816 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.44 HD12 ' CD1' ' A' ' 94' ' ' ILE . 10.8 mt -144.58 146.63 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.41 ' N ' HG21 ' A' ' 110' ' ' ILE . 9.7 ptm180 -141.96 125.74 17.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -80.67 123.63 28.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 75.9 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.6 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.777 0.322 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.41 ' CE2' ' HA3' ' A' ' 99' ' ' GLY . 5.5 p90 -73.92 160.11 31.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -151.37 107.44 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.839 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.416 ' C ' HG21 ' A' ' 103' ' ' ILE . . . -49.2 -53.92 19.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.099 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.3 m -47.59 -29.03 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -84.34 28.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.3 t -118.12 120.89 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.148 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.1 p -130.38 144.26 51.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.443 ' HB1' ' CD1' ' A' ' 31' ' ' LEU . . . -125.7 149.72 48.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.9 p -140.57 170.75 15.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 128.52 179.35 15.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -38.47 7.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.306 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.28 -35.04 49.14 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 32' ' ' SER . 33.0 mt -85.56 -18.54 33.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 31' ' ' LEU . 41.8 t -34.09 117.64 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.7 p -74.33 -29.29 61.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -61.17 -31.18 70.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.75 152.45 5.95 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.5 m -117.76 151.92 49.24 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.602 0.715 . . . . 0.0 111.163 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 114.72 3.8 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.676 2.25 . . . . 0.0 112.348 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 39' ' ' SER . . . -59.57 173.31 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 38' ' ' ALA . 2.8 m 34.82 41.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.468 HD13 ' N ' ' A' ' 41' ' ' PRO . 1.7 tm? -144.68 124.97 7.38 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.639 0.733 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.468 ' N ' HD13 ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.78 99.31 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.32 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.2 p -103.6 139.52 24.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -132.39 135.41 46.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.443 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 21.8 p90 -103.41 179.25 4.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.27 126.23 36.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.5 mt -96.93 112.2 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.94 118.55 36.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -109.85 125.66 53.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -95.15 -56.37 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -120.65 26.75 8.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.77 -23.84 29.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.93 -142.45 38.04 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -116.96 129.68 56.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.93 161.64 32.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.5 tp -56.72 107.63 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.0 tp -97.27 128.2 43.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -130.24 157.5 42.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.9 t -132.31 98.78 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -102.36 108.15 19.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 70.2 mt -109.46 123.42 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.1 p -124.11 162.32 23.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -104.92 -176.0 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -36.83 51.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -79.3 -25.14 42.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.08 31.91 7.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -96.96 153.79 38.44 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.559 0.695 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 132.58 23.62 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.2 mmmm -114.82 150.9 34.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -76.98 122.13 24.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.838 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.06 149.83 50.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.3 mt -105.32 140.46 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 89.8 t -116.64 106.69 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -90.46 143.28 26.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -109.37 119.26 38.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -102.56 -28.93 11.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.99 33.43 21.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -126.04 28.42 6.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.36 5.82 89.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.8 p -129.82 176.29 8.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.729 0.299 . . . . 0.0 111.19 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -151.87 134.15 15.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.49 142.12 42.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.443 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 85.1 t -135.75 115.02 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.7 m -92.74 137.87 31.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 1.7 p90 -150.13 132.65 15.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.404 ' CG1' ' HB3' ' A' ' 41' ' ' PRO . 26.3 mt -105.03 112.45 65.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.718 . . . . 0.0 111.158 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 81.82 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.662 2.241 . . . . 0.0 112.373 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.07 -47.71 79.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -87.37 173.17 9.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.2 p -128.32 129.46 46.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.121 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 156.42 -121.52 1.09 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.437 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -112.22 127.49 55.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -111.97 125.82 54.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 33.6 tpp -111.53 131.08 55.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 76.8 mt -122.67 115.09 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.58 91.43 1.05 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 88.1 t -84.99 117.92 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 111.105 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 70.5 p -115.39 148.91 38.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -139.66 109.15 6.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.41 ' HA3' ' CE2' ' A' ' 19' ' ' TYR . . . 72.2 44.32 44.36 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 61.93 30.35 75.08 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.457 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -152.87 117.97 5.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.821 0.343 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.01 143.97 45.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.416 HG21 ' C ' ' A' ' 21' ' ' ALA . 5.3 pt -70.18 157.2 90.45 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.707 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 4.65 2.07 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.733 2.289 . . . . 0.0 112.321 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 73.3 mt -118.89 4.95 11.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.522 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 70.6 p -111.4 152.89 44.22 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.75 -176.07 11.98 Favored 'Cis proline' 0 C--O 1.232 0.179 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.331 -0.048 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -114.58 130.82 56.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 27.1 ptt-85 -87.95 132.73 34.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 6.8 mt -153.58 150.34 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -142.63 140.61 31.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -77.84 142.67 38.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 75.6 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 -179.941 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 89.3 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.8 0.333 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.454 ' CE1' ' HA3' ' A' ' 99' ' ' GLY . 17.6 p90 -82.07 158.97 23.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.961 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -151.03 132.57 14.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.432 ' O ' ' CG2' ' A' ' 103' ' ' ILE . . . -79.55 -45.13 19.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.2 p -58.47 -21.0 50.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.463 ' HE2' ' CB ' ' A' ' 50' ' ' ASP . 11.7 mmmt -85.95 7.52 24.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.0 t -105.82 124.36 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.4 p -119.1 159.44 23.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.47 ' HB1' ' CD1' ' A' ' 31' ' ' LEU . . . -137.74 131.86 31.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.8 m -148.05 147.24 29.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.39 -174.2 24.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -34.36 14.6 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.667 2.245 . . . . 0.0 112.311 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.29 -30.0 60.8 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.47 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 14.9 mt -109.37 20.23 18.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.327 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 t -60.5 119.6 8.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 t -68.85 -32.36 71.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -61.04 -32.29 71.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.12 158.36 7.56 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.471 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.9 m -125.35 143.99 46.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 111.148 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 119.14 6.14 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.647 2.231 . . . . 0.0 112.374 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.55 164.49 7.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.4 m 44.76 29.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -127.35 124.28 23.59 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.634 0.73 . . . . 0.0 110.952 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 98.31 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.39 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.565 HG13 ' CE1' ' A' ' 84' ' ' TYR . 7.1 p -112.83 143.18 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.444 ' N ' HG22 ' A' ' 42' ' ' VAL . 5.7 p-10 -133.53 148.18 51.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.523 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 1.7 p90 -108.96 172.68 6.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -117.24 135.22 53.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.151 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.2 mt -117.36 98.43 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.36 113.79 25.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.3 125.6 49.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -95.15 -54.16 3.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.832 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.463 ' CB ' ' HE2' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -122.08 19.3 10.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.37 0.28 8.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 54.98 -135.31 47.13 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.514 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -130.15 129.71 43.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.907 0.385 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.43 -168.17 26.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 mp -96.83 140.54 31.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.2 tp -114.93 140.49 48.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.07 147.52 30.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.0 p -125.23 123.77 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.3 mp0 -111.84 108.8 18.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.3 mt -106.4 136.3 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.88 163.33 32.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -105.86 173.27 6.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -45.1 -29.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -91.36 -24.08 19.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.467 ' N ' ' OD1' ' A' ' 62' ' ' ASP . . . 96.26 48.35 2.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.505 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -95.23 151.19 38.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.646 0.736 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 130.04 18.71 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -122.88 144.55 49.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -90.81 140.04 30.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.79 133.82 36.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 44.3 mt -76.35 144.54 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.6 t -110.29 110.03 30.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.171 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -93.17 115.19 27.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.97 111.12 23.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 77' ' ' ASP . 3.4 m-80 -99.6 -12.46 20.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 75' ' ' ASN . 0.1 OUTLIER 31.2 38.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 75' ' ' ASN . 88.4 m-20 -126.02 2.21 7.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.76 8.19 11.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.446 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.2 p -144.69 176.86 9.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.798 0.332 . . . . 0.0 111.122 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -151.51 130.54 12.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -114.34 144.74 42.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.523 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 96.1 t -137.46 125.67 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.7 m -106.03 146.68 29.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.565 ' CE1' HG13 ' A' ' 42' ' ' VAL . 8.4 p90 -150.15 128.7 12.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.4 mt -106.24 96.33 13.2 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.571 0.701 . . . . 0.0 111.165 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.523 ' HD3' ' CD2' ' A' ' 84' ' ' TYR . 53.2 Cg_endo -69.75 118.7 5.84 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.254 . . . . 0.0 112.344 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -87.97 -63.5 1.29 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -81.45 106.9 13.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 58.5 p -61.09 135.04 57.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 154.44 -172.24 32.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -52.27 122.23 8.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -119.44 114.64 22.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.7 tpp -104.96 119.29 38.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.419 HD12 ' CD1' ' A' ' 110' ' ' ILE . 39.5 mt -109.8 130.28 63.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -115.37 99.0 0.87 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 71.5 t -85.45 127.91 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.388 . . . . 0.0 111.157 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.3 p -124.6 143.06 50.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -136.99 125.51 23.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.454 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . 56.14 33.32 60.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 74.74 26.33 67.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -141.82 127.23 18.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.349 . . . . 0.0 110.825 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.93 126.33 32.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.432 ' CG2' ' O ' ' A' ' 21' ' ' ALA . 12.1 pt -59.29 155.0 38.65 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.591 0.71 . . . . 0.0 111.172 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -1.54 8.68 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 93.6 mt -93.49 -26.47 17.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.507 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 2.7 p -85.16 154.24 60.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.698 0.761 . . . . 0.0 110.848 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.9 Cg_endo -69.79 -177.66 15.07 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.357 0.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -122.07 129.47 52.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.924 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -92.48 129.07 38.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.419 ' CD1' HD12 ' A' ' 94' ' ' ILE . 1.8 mt -149.08 149.68 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 43.4 mtt-85 -124.47 116.6 22.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -78.16 111.67 14.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 -179.944 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.3 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.747 0.308 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.434 ' CE1' ' HA3' ' A' ' 99' ' ' GLY . 3.6 p90 -70.17 155.86 40.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -160.28 119.64 2.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.8 -43.78 71.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.6 p -48.13 -29.68 3.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -90.62 28.4 1.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -117.97 128.6 75.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.9 p -139.67 156.05 47.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.401 ' HB1' ' CD1' ' A' ' 31' ' ' LEU . . . -139.64 145.83 38.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.5 m -146.88 143.04 28.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.13 -174.86 28.6 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -37.77 8.87 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.381 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.01 -31.22 39.58 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.401 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 8.1 mt -113.31 24.46 12.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.1 t -60.77 120.74 10.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.3 p -69.34 -35.63 76.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -59.25 -33.21 70.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.05 156.61 6.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.7 m -122.56 146.22 47.0 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.614 0.721 . . . . 0.0 111.147 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 117.52 5.13 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.633 2.222 . . . . 0.0 112.392 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.41 153.36 35.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 t 55.14 42.11 30.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.402 ' C ' HD12 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -143.49 124.69 8.15 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.584 0.707 . . . . 0.0 110.935 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 97.73 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.708 2.272 . . . . 0.0 112.308 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.526 HG11 ' CE2' ' A' ' 84' ' ' TYR . 11.4 p -112.02 151.67 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -140.53 159.48 42.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.464 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 13.6 p90 -125.44 179.54 5.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.69 130.31 48.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.9 mt -100.98 99.85 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -88.48 112.61 23.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.461 ' CB ' ' HB2' ' A' ' 51' ' ' ALA . . . -110.2 125.2 52.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -95.58 -56.86 2.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -122.42 29.69 6.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.461 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . . . -79.52 13.35 2.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 46.79 -128.69 11.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -144.3 112.11 6.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.909 0.385 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -144.66 167.88 26.98 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.8 tp -74.34 110.05 8.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.858 0.361 . . . . 0.0 110.931 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.6 tp -84.88 139.76 31.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.68 147.71 45.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.0 t -119.07 124.69 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -118.57 105.38 11.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.447 HG21 ' N ' ' A' ' 61' ' ' THR . 74.8 mt -110.61 137.49 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.447 ' N ' HG21 ' A' ' 60' ' ' ILE . 11.3 p -135.79 170.6 15.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.79 -176.56 2.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -52.3 -36.01 51.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -82.68 -25.74 32.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.45 38.16 4.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -100.91 155.27 36.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.565 0.698 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 135.15 29.67 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.329 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -119.06 152.56 36.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -80.31 126.82 31.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -134.55 139.99 45.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.3 mt -90.44 139.96 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.2 p -110.18 127.41 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -106.21 134.31 49.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -115.41 111.33 20.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -100.55 -28.7 12.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? 56.8 37.71 28.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -129.2 25.11 5.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 96.03 -22.3 40.33 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.2 p -113.78 174.89 5.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 111.178 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -151.96 137.55 17.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.75 148.67 32.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.128 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.464 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 64.4 t -143.85 126.84 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 31.3 m -103.05 143.32 32.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.598 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 9.2 p90 -149.28 127.59 12.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 54.6 mt -103.14 95.46 6.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.585 0.707 . . . . 0.0 111.127 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.598 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.8 Cg_endo -69.73 104.67 1.35 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -94.17 -50.6 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -75.82 103.94 6.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 81.2 p -64.79 150.43 47.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.89 -129.92 4.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -108.91 122.09 46.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -107.55 131.87 53.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 5.6 ttm -121.16 110.85 16.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.41 HD13 ' CD1' ' A' ' 110' ' ' ILE . 18.7 mt -107.46 120.7 59.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.152 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -112.28 102.8 1.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.2 t -84.89 137.87 20.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.869 0.366 . . . . 0.0 111.107 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.8 p -128.2 145.32 51.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -135.13 116.26 14.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.434 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . 58.05 49.36 75.93 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.547 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 60.94 32.1 78.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.514 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -151.11 119.03 6.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 102' ' ' ASP . 0.3 OUTLIER -76.61 146.81 37.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.8 pt -72.44 156.94 89.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.624 0.726 . . . . 0.0 111.095 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 3.9 2.52 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.673 2.248 . . . . 0.0 112.348 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -104.18 -23.31 13.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.526 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 4.5 p -80.19 153.81 74.54 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.709 0.766 . . . . 0.0 110.813 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 106' ' ' SER . 54.3 Cg_endo -69.65 -179.64 19.52 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.388 -0.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -117.84 112.6 20.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.929 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -85.03 132.75 34.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.41 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.8 mt -154.85 160.94 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.119 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -133.93 131.12 38.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -85.29 98.18 10.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 75.3 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.891 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.3 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.785 0.326 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.512 ' CE1' ' HA3' ' A' ' 99' ' ' GLY . 7.9 p90 -67.81 157.56 34.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -144.7 120.93 10.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.59 -51.16 37.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -49.36 -30.87 8.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.4 mmtm -83.91 33.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 54.5 t -117.12 123.77 72.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 p -140.19 144.4 36.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.187 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.457 ' HB3' ' CD1' ' A' ' 31' ' ' LEU . . . -126.19 153.91 43.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.8 m -145.17 149.68 35.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.77 -173.89 24.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -37.15 9.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.344 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.425 ' CA ' HG23 ' A' ' 42' ' ' VAL . . . -55.46 -26.68 45.63 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.471 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 26' ' ' ALA . 9.3 mt -118.25 25.1 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 110.941 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.4 t -69.66 120.02 14.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.2 t -61.42 -31.67 71.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -64.09 -22.5 66.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.8 158.76 10.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.5 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.8 m -118.02 150.12 46.77 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.662 0.744 . . . . 0.0 111.12 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 115.23 4.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.45 163.24 5.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 t 39.69 40.06 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.435 ' CD1' ' HD2' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -139.31 126.43 12.85 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.705 . . . . 0.0 110.923 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.435 ' HD2' ' CD1' ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.76 97.68 0.65 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.671 2.247 . . . . 0.0 112.367 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.535 HG12 ' CE2' ' A' ' 84' ' ' TYR . 12.0 p -109.27 143.96 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.41 ' N ' HG21 ' A' ' 42' ' ' VAL . 3.8 p30 -134.43 136.95 43.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.531 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 11.2 p90 -101.53 -179.28 3.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.85 133.73 52.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.078 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.4 mt -108.09 103.92 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -102.36 119.23 38.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -108.27 125.49 51.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 83.2 mtm-85 -94.35 -56.26 2.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -121.92 24.87 9.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.61 -14.7 34.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.26 -139.09 48.35 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -120.72 133.15 55.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.907 0.384 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.03 170.6 37.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 tp -65.27 108.81 2.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.851 0.357 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.9 tp -95.62 131.08 42.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.68 134.06 20.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 p -110.26 135.21 49.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -120.73 103.9 9.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.412 HG21 ' N ' ' A' ' 61' ' ' THR . 96.5 mt -96.54 133.74 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.412 ' N ' HG21 ' A' ' 60' ' ' ILE . 9.7 p -136.55 167.31 21.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.88 -175.61 2.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -54.18 -36.02 62.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -84.55 -22.8 29.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.64 44.61 3.12 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -92.35 148.45 36.52 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.503 0.668 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 127.87 15.2 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.71 2.274 . . . . 0.0 112.344 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -118.45 159.42 23.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.1 tpp85 -95.91 144.23 26.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.18 143.53 49.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.088 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 57.4 mt -96.27 133.4 37.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.1 p -104.64 126.37 59.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -117.76 128.14 54.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.813 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -98.78 125.7 44.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -108.29 -29.7 8.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.36 31.08 20.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -124.72 29.37 6.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.02 22.52 65.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.4 p -148.62 178.07 8.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 0.0 111.126 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -151.67 133.06 14.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.47 148.09 31.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.531 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 83.9 t -141.95 114.92 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 84' ' ' TYR . 77.6 m -93.19 143.16 26.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.535 ' CE2' HG12 ' A' ' 42' ' ' VAL . 1.7 p90 -152.55 130.29 11.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.409 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 40.4 mt -107.36 103.86 50.2 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.602 0.715 . . . . 0.0 111.139 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.511 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 53.5 Cg_endo -69.76 120.91 7.62 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.668 2.245 . . . . 0.0 112.345 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -100.41 -57.64 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -81.55 121.25 26.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 32.2 p -72.22 156.36 39.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 133.04 -145.87 17.83 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -96.88 128.4 43.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -109.7 135.21 51.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.449 ' CG ' ' HB2' ' A' ' 107' ' ' PRO . 3.6 ttm -119.74 111.82 18.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.431 HD11 ' CD1' ' A' ' 110' ' ' ILE . 26.0 mt -107.39 134.76 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -123.98 100.24 0.64 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.1 t -85.42 134.86 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.9 0.381 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.45 ' CG2' ' OD2' ' A' ' 102' ' ' ASP . 40.2 p -125.19 140.35 52.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -130.17 112.98 13.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.512 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . 66.27 47.96 67.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 59.22 32.24 71.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.475 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -153.35 118.14 5.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.329 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 102' ' ' ASP . 0.0 OUTLIER -78.37 155.23 30.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 21.6 pt -81.43 154.85 71.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.591 0.71 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 5.96 1.5 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.673 2.249 . . . . 0.0 112.298 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.9 mt -103.14 -26.55 12.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.522 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 8.2 p -77.16 155.36 82.32 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.674 0.75 . . . . 0.0 110.83 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 106' ' ' SER . 54.0 Cg_endo -69.78 -176.92 13.47 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.36 -0.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -114.54 119.93 38.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.46 132.38 34.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.431 ' CD1' HD11 ' A' ' 94' ' ' ILE . 22.1 mt -151.16 154.72 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.3 mtp-105 -127.99 121.89 30.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -81.12 103.54 11.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.3 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 -179.903 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -171.96 162.1 5.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.0 p -169.09 166.79 10.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.63 -102.44 0.22 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.506 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m 53.29 49.83 18.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.357 . . . . 0.0 110.855 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -104.83 157.4 17.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.23 120.78 4.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -133.61 178.53 6.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.896 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.2 p -157.04 131.27 4.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.667 0.746 . . . . 0.0 110.816 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.465 ' HB2' ' CD1' ' A' ' 11' ' ' PHE . 53.7 Cg_endo -69.77 -25.97 28.0 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.347 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 10' ' ' PRO . 76.5 m-85 -154.33 118.55 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -163.16 131.05 3.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.0 m -89.15 173.37 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -109.04 42.23 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.3 m -81.01 175.52 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 pp -86.17 142.21 35.72 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.601 0.715 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HB2' ' CD1' ' A' ' 19' ' ' TYR . 53.9 Cg_endo -69.71 152.9 69.66 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.382 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 93.0 m -72.6 -30.52 64.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.136 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.421 ' CD1' ' HB2' ' A' ' 17' ' ' PRO . 10.9 p90 -84.81 173.61 10.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.965 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -168.66 106.67 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.51 -45.96 69.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.0 p -48.22 -31.62 6.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -89.76 30.47 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 76.4 t -115.98 130.25 71.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.1 p -138.85 158.7 43.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.464 ' HB1' ' CD1' ' A' ' 31' ' ' LEU . . . -139.15 146.68 40.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.062 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.6 m -147.96 151.06 35.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.78 -173.81 23.39 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -36.2 11.26 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.664 2.243 . . . . 0.0 112.328 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.5 -25.59 35.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.464 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 10.3 mt -120.2 23.22 11.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.809 0.338 . . . . 0.0 110.882 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.3 t -64.84 126.18 27.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 80.1 p -74.17 -31.85 62.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -60.36 -30.84 69.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.86 155.62 7.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.442 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -126.98 148.61 66.38 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.614 0.721 . . . . 0.0 111.129 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 124.33 11.0 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.654 2.236 . . . . 0.0 112.401 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.71 139.17 47.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.5 t 68.53 25.87 6.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -122.43 136.49 26.58 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.711 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 97.58 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.248 . . . . 0.0 112.336 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.548 ' CG1' ' CE2' ' A' ' 84' ' ' TYR . 13.7 p -110.93 146.49 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -142.79 142.94 31.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.571 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 19.6 p90 -108.01 175.5 5.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.96 138.31 54.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.4 ' CD1' HD21 ' A' ' 56' ' ' LEU . 29.6 mt -112.82 103.43 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.42 115.92 31.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -106.78 125.63 51.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -95.15 -56.48 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -122.12 19.32 10.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.87 -18.47 43.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.88 -138.01 39.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -117.6 132.64 56.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.666 ' N ' ' CE2' ' A' ' 98' ' ' TYR . . . -160.38 138.64 5.63 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.529 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.1 tp -47.14 108.41 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.359 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.4 HD21 ' CD1' ' A' ' 46' ' ' ILE . 6.4 tp -87.24 144.41 26.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.48 140.3 20.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.442 HG22 ' N ' ' A' ' 59' ' ' GLN . 10.2 p -123.58 140.43 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.442 ' N ' HG22 ' A' ' 58' ' ' VAL . 19.4 tt0 -133.97 104.4 6.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.2 mt -99.23 124.9 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.8 p -124.17 164.04 20.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -108.78 175.47 5.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -46.11 -33.29 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -86.75 -25.11 24.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 96.96 44.77 2.77 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -99.86 151.9 37.63 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.558 0.694 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 131.97 22.34 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.423 ' NZ ' ' OD2' ' A' ' 87' ' ' ASP . 17.2 mmtt -114.25 150.35 34.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -73.58 127.64 33.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -132.34 121.2 23.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.7 mt -90.2 146.91 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 p -111.19 122.75 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -111.76 123.63 50.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -102.04 123.62 46.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -106.57 -24.46 12.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.74 30.91 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -122.86 26.72 8.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.821 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 85.02 14.07 70.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.452 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 56.3 p -144.1 170.34 16.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 111.17 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -143.67 133.01 23.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.33 149.74 28.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.102 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.571 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 99.9 t -145.3 120.83 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.453 HG21 ' N ' ' A' ' 84' ' ' TYR . 31.6 m -101.77 142.03 33.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.162 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.573 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 11.4 p90 -147.94 129.49 14.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.2 mt -105.71 96.25 12.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.59 0.71 . . . . 0.0 111.168 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.573 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 54.1 Cg_endo -69.71 97.32 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.256 . . . . 0.0 112.357 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.423 ' OD2' ' NZ ' ' A' ' 68' ' ' LYS . 2.8 m-20 -74.6 -61.18 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -86.13 97.87 10.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.472 ' OG1' ' N ' ' A' ' 90' ' ' GLY . 0.1 OUTLIER -49.12 172.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.472 ' N ' ' OG1' ' A' ' 89' ' ' THR . . . 126.5 -179.8 16.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -61.23 110.56 1.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -100.98 128.09 47.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 5.0 ttm -115.89 108.72 16.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 52.4 mt -97.79 129.44 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -115.41 91.68 0.56 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.497 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 97.1 t -79.19 145.25 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 111.175 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.6 p -145.55 147.11 31.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.666 ' CE2' ' N ' ' A' ' 54' ' ' GLY . 4.5 t80 -133.43 117.82 17.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.55 45.24 96.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.546 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.57 34.5 90.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -149.54 119.85 7.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -74.8 141.49 44.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.3 pt -76.28 153.55 84.17 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.619 0.723 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 1.28 4.59 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.322 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 66.7 mt -93.59 -33.84 13.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.5 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.5 m -81.41 160.8 64.05 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.69 0.757 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.76 179.95 20.9 Favored 'Cis proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.351 -0.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -120.87 132.68 55.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -100.75 120.74 40.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 15.7 mt -137.01 154.48 31.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.427 ' HD2' ' N ' ' A' ' 111' ' ' ARG . 4.8 mpt_? -123.99 121.76 36.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -82.91 108.23 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 69.2 p -73.03 101.58 3.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.492 ' CD ' ' C ' ' A' ' 114' ' ' GLN . 2.9 pp0? -107.83 164.75 11.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 71.0 p -140.7 131.75 26.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 82.68 -111.86 3.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 53.44 47.31 24.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.25 141.98 52.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.789 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 p -150.9 177.8 9.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 110.845 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -170.46 171.37 6.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.31 -169.04 12.19 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 t -165.29 163.74 20.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.887 0.375 . . . . 0.0 110.821 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -139.77 163.08 33.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.25 55.29 0.52 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -145.18 144.52 30.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.349 . . . . 0.0 110.869 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 t -107.66 82.85 1.43 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.656 0.741 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 107.43 1.86 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.679 2.252 . . . . 0.0 112.328 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -166.58 123.69 1.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -174.28 167.66 4.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.5 t -52.63 148.26 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.0 tptt -108.08 113.04 25.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.7 m -127.46 142.39 43.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mp -58.37 144.21 78.46 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.663 0.744 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.497 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 54.0 Cg_endo -69.72 162.14 43.2 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.4 m -92.06 -22.36 19.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.497 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 6.2 p90 -67.04 145.92 54.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.09 110.03 4.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.796 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 24' ' ' VAL . . . -62.18 -42.02 98.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.424 ' HA ' ' CD ' ' A' ' 104' ' ' PRO . 8.7 m -48.32 -29.36 3.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.45 ' CD ' ' HB3' ' A' ' 50' ' ' ASP . 37.3 mmtt -84.65 20.56 1.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.411 HG22 ' CB ' ' A' ' 51' ' ' ALA . 95.9 t -114.79 124.07 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.6 p -134.9 149.99 50.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.452 ' HB3' ' CD1' ' A' ' 31' ' ' LEU . . . -134.57 151.44 51.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.4 m -148.35 156.56 42.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.15 -173.37 23.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.406 ' HG2' ' CG2' ' A' ' 42' ' ' VAL . 53.8 Cg_endo -69.77 -36.31 11.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.08 -30.21 46.04 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 26' ' ' ALA . 7.1 mt -114.31 26.16 10.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.7 t -63.96 119.77 10.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.6 p -65.19 -39.29 92.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -59.99 -32.66 71.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.919 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.63 155.9 6.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.0 m -116.8 148.41 42.0 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.637 0.732 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 116.2 4.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.646 2.231 . . . . 0.0 112.372 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.74 158.4 30.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.3 m 52.2 37.41 21.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.467 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 1.7 tm? -143.03 127.28 9.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.551 0.691 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.453 ' HD2' ' CD2' ' A' ' 40' ' ' LEU . 54.4 Cg_endo -69.75 98.48 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.264 . . . . 0.0 112.354 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.561 HG13 ' CE2' ' A' ' 84' ' ' TYR . 8.6 p -109.48 143.21 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.458 ' N ' HG21 ' A' ' 42' ' ' VAL . 10.0 p30 -135.56 143.51 45.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -108.39 -179.45 3.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.06 127.31 37.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.6 mt -98.28 109.58 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -98.46 116.54 30.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -112.45 125.69 54.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -95.21 -56.33 2.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.45 ' HB3' ' CD ' ' A' ' 23' ' ' LYS . 3.1 t0 -122.1 29.83 6.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.411 ' CB ' HG22 ' A' ' 24' ' ' VAL . . . -79.12 12.31 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 45.37 -128.41 8.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -139.99 122.97 16.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -157.82 169.06 34.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.506 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.6 tp -78.65 115.17 18.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.3 tp -87.01 130.48 34.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.25 136.15 54.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.053 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 97.5 t -114.02 123.28 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -123.32 111.75 16.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.46 HD12 ' CB ' ' A' ' 70' ' ' ALA . 71.7 mt -112.54 127.88 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.8 p -128.97 154.6 46.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -114.64 -175.76 2.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -51.0 -27.81 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -79.49 -25.64 41.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.98 12.47 65.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.463 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -95.48 152.96 39.6 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.59 0.709 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 126.11 12.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.265 . . . . 0.0 112.384 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -92.26 177.91 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -95.09 113.26 24.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.46 ' CB ' HD12 ' A' ' 60' ' ' ILE . . . -129.06 150.31 50.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.051 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 26.3 mt -104.41 143.57 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 p -111.15 117.41 54.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -103.0 122.26 44.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -101.37 112.39 24.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -92.76 -29.34 16.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm 57.46 27.4 13.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -122.13 23.41 9.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.12 -25.17 28.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.515 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.9 p -110.91 176.9 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.778 0.323 . . . . 0.0 111.155 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -149.0 143.74 26.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -121.37 135.52 55.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.7 t -132.93 126.02 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.0 m -103.32 139.87 38.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.57 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 7.8 p90 -150.07 127.13 11.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.6 mt -107.93 97.15 19.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.57 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.81 107.92 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.623 2.215 . . . . 0.0 112.346 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.66 -38.47 21.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -92.02 139.48 30.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.0 p -97.15 129.99 44.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 164.29 -125.55 1.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.514 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -110.61 134.72 52.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -124.78 130.43 52.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.8 ttm -119.48 120.63 37.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 18.8 mt -110.74 116.75 53.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -104.11 93.1 0.94 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.7 t -81.83 132.48 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.378 . . . . 0.0 111.158 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 34.4 p -128.33 148.85 50.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -134.45 118.1 17.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 59.3 42.39 97.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.466 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 67.87 30.98 74.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.19 117.21 7.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.88 132.7 47.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 12.8 pt -65.39 154.87 86.74 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.682 0.753 . . . . 0.0 111.081 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.424 ' CD ' ' HA ' ' A' ' 22' ' ' SER . 54.4 Cg_endo -69.74 2.94 3.07 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.713 2.276 . . . . 0.0 112.366 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 32.6 mt -100.2 -28.23 13.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.521 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 2.5 p -83.56 154.72 65.69 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.684 0.754 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.9 Cg_endo -69.77 -177.39 14.46 Favored 'Cis proline' 0 C--N 1.342 0.221 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.372 0.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -123.21 125.67 45.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -93.1 123.43 36.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.403 ' C ' ' HD2' ' A' ' 111' ' ' ARG . 22.2 mt -142.57 157.31 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.403 ' HD2' ' C ' ' A' ' 110' ' ' ILE . 6.2 mpt_? -133.44 126.04 30.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -80.92 110.19 16.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.049 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 80.8 p -79.59 116.38 19.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 39.0 tp60 -92.9 44.2 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 38.0 p -65.23 126.02 26.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.094 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 116.44 -164.8 12.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.457 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -157.21 142.07 16.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.756 0.312 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.49 137.04 47.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.1 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -179.753 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.8 m -42.0 130.66 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.866 0.365 . . . . 0.0 110.892 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.2 m -130.05 173.03 11.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.39 -178.12 44.68 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 t -144.68 134.64 23.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.92 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -91.04 162.99 14.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.77 142.79 5.98 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.5 mtp85 -111.99 -58.53 2.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.318 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 t -152.97 141.18 13.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.68 0.752 . . . . 0.0 110.857 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 149.24 66.8 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.381 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -123.42 85.9 2.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' CD ' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -154.91 164.11 39.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.403 ' O ' ' CD ' ' A' ' 12' ' ' LYS . 31.1 m -77.47 170.76 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.9 tttp -171.58 151.86 3.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -101.9 174.98 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.5 mt -41.24 146.57 0.5 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.618 0.723 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 175.92 7.42 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.379 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.7 m -115.54 -19.68 10.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -61.48 146.94 46.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -144.74 113.11 6.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.49 -46.48 83.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.063 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 m -49.21 -32.26 10.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.902 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.451 ' CE ' ' HB2' ' A' ' 50' ' ' ASP . 29.4 mmmt -87.98 33.59 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.427 ' CG2' ' HB2' ' A' ' 51' ' ' ALA . 62.0 t -125.8 113.4 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.2 p -124.95 164.14 20.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.53 149.59 39.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 m -147.04 148.76 31.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 144.59 -174.81 24.62 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.444 ' HG2' ' CG2' ' A' ' 42' ' ' VAL . 53.8 Cg_endo -69.74 -37.51 9.13 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.661 2.24 . . . . 0.0 112.374 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.4 ' N ' HG22 ' A' ' 42' ' ' VAL . . . -51.87 -32.1 33.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 mt -109.29 24.9 12.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.82 0.343 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.9 t -63.45 117.52 6.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.0 p -64.32 -36.7 84.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -60.16 -34.19 73.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.41 158.5 8.09 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.5 m -118.64 148.53 44.45 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.719 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 117.17 4.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.321 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.32 160.34 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.7 m 47.33 37.52 6.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.463 HD13 ' N ' ' A' ' 41' ' ' PRO . 0.7 OUTLIER -137.33 118.8 10.92 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.638 0.732 . . . . 0.0 110.898 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.463 ' N ' HD13 ' A' ' 40' ' ' LEU . 54.0 Cg_endo -69.72 97.17 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.376 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.486 HG12 ' CE2' ' A' ' 84' ' ' TYR . 11.4 p -106.85 143.32 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.46 ' N ' HG23 ' A' ' 42' ' ' VAL . 31.5 p30 -133.28 145.42 50.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -110.25 -176.04 2.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.04 127.41 36.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.0 mt -97.85 103.28 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -92.97 118.88 31.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.97 124.63 52.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -96.33 -57.12 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.451 ' HB2' ' CE ' ' A' ' 23' ' ' LYS . 4.0 m-20 -122.66 25.61 8.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.427 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . . . -87.35 17.01 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.069 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.27 -131.05 2.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.557 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -137.39 127.92 26.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.953 0.406 . . . . 0.0 110.832 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.45 172.9 33.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.444 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.7 tt -78.93 111.37 15.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.841 0.353 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 tp -89.04 143.6 26.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -127.03 155.34 43.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.056 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 99.7 t -124.75 117.32 49.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -120.57 111.06 17.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.6 mt -119.91 128.67 75.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.0 p -138.5 168.06 20.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.188 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.21 -176.74 2.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -51.29 -36.68 43.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -79.07 -24.29 43.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.34 32.46 7.76 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.538 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -93.55 155.37 40.75 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 147.69 63.32 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.73 2.287 . . . . 0.0 112.282 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -129.92 138.33 50.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -69.3 125.09 25.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.62 152.49 51.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.8 mt -110.26 145.4 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.159 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.0 p -109.93 111.16 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -97.19 111.15 23.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -98.93 126.77 44.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -107.42 -33.45 7.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.69 37.79 22.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -123.81 -13.92 7.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 138.3 -5.08 3.21 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.413 ' C ' ' CD1' ' A' ' 80' ' ' TYR . 24.5 p -137.84 176.3 8.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.769 0.319 . . . . 0.0 111.173 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 79' ' ' THR . 13.7 m-85 -145.92 144.83 30.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.977 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.35 148.85 44.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 84.5 t -143.79 114.14 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 84' ' ' TYR . 59.6 m -90.28 145.53 24.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.564 ' CE1' ' HD3' ' A' ' 86' ' ' PRO . 2.3 p90 -151.55 128.21 10.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.414 ' CG1' ' HB3' ' A' ' 41' ' ' PRO . 27.7 mt -105.56 100.37 26.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.646 0.736 . . . . 0.0 111.107 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.564 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 54.1 Cg_endo -69.81 97.73 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -91.57 25.2 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -143.99 160.52 40.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 35.4 p -118.66 129.86 55.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 150.96 -121.62 1.25 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -117.35 129.78 56.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.799 0.333 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -112.56 114.79 27.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -100.25 126.42 46.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 72.0 mt -120.52 128.24 76.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -116.73 93.44 0.59 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.526 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.4 t -81.89 130.55 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.92 0.391 . . . . 0.0 111.12 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 21.2 p -126.54 145.37 50.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -130.85 118.28 20.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 58.06 49.11 78.22 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.531 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 60.6 36.92 92.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.474 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -154.06 118.43 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.353 . . . . 0.0 110.835 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -68.81 139.39 55.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.1 pt -71.64 151.91 93.59 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.674 0.75 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.41 2.81 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 33.4 mt -99.24 -26.49 14.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.494 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.3 m -85.32 161.45 51.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.9 Cg_endo -69.75 -179.32 18.81 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.331 -0.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -121.43 130.36 53.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -97.15 122.32 40.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 22.6 mt -143.18 161.42 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -148.01 145.74 28.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -91.3 138.88 31.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.088 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 73.1 p -106.89 94.49 5.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -78.27 46.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 8.9 t -99.75 124.91 45.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 79.02 44.38 9.93 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -82.82 163.23 21.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.825 0.345 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.82 132.56 54.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 72.5 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.784 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 p -172.99 142.66 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.891 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 p -93.52 155.64 17.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.2 127.79 1.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.1 p -144.66 114.34 7.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.9 0.381 . . . . 0.0 110.872 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 p -109.99 158.24 18.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.42 129.61 1.1 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.8 mmm-85 -103.44 -36.79 7.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.339 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.436 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 1.8 m 58.2 54.68 6.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.648 0.737 . . . . 0.0 110.829 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 9' ' ' SER . 53.5 Cg_endo -69.78 115.17 3.97 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.5 ' CD2' ' O ' ' A' ' 11' ' ' PHE . 28.2 p90 -112.89 85.68 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -145.6 174.18 11.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -80.5 160.0 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.17 146.72 29.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.8 m -126.2 170.24 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -66.42 142.21 97.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.57 0.7 . . . . 0.0 110.95 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.561 ' HB2' ' CD1' ' A' ' 19' ' ' TYR . 53.6 Cg_endo -69.84 153.1 68.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.615 2.21 . . . . 0.0 112.355 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.5 m -71.4 -34.86 70.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.144 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.561 ' CD1' ' HB2' ' A' ' 17' ' ' PRO . 14.1 p90 -69.56 157.78 36.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -146.61 120.19 9.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.56 -44.8 73.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -52.55 -28.58 21.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.817 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -87.69 28.78 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.464 HG23 ' CB ' ' A' ' 51' ' ' ALA . 70.6 t -120.87 129.85 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.4 p -144.01 166.37 25.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.446 ' HB3' ' CD1' ' A' ' 31' ' ' LEU . . . -143.23 154.54 43.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.3 m -148.76 148.73 30.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.37 -173.45 24.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -37.07 9.85 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.713 2.275 . . . . 0.0 112.35 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.81 -29.46 54.82 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 26' ' ' ALA . 8.6 mt -117.35 25.42 10.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.953 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.3 t -67.63 109.77 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 t -52.84 -35.73 57.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -59.84 -32.98 71.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.955 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.31 157.88 7.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.9 m -120.08 150.38 51.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 115.31 4.03 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.25 . . . . 0.0 112.336 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.58 163.37 5.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.093 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.3 t 41.1 42.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.812 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.418 ' C ' HD12 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -143.67 124.56 7.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.575 0.702 . . . . 0.0 110.895 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 97.81 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.375 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.571 ' CG1' ' CE2' ' A' ' 84' ' ' TYR . 9.2 p -107.03 148.07 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.446 ' N ' HG22 ' A' ' 42' ' ' VAL . 4.9 p-10 -138.06 139.32 39.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.558 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 8.1 p90 -107.35 -176.2 3.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.61 132.24 46.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.2 mt -107.68 110.23 31.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -107.1 120.43 42.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -108.91 125.69 52.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -94.96 -55.63 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -121.96 32.08 5.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.464 ' CB ' HG23 ' A' ' 24' ' ' VAL . . . -93.65 -21.48 19.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.9 -140.08 35.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -121.3 134.55 55.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -163.46 159.18 31.77 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.8 tp -59.25 106.62 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.374 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.3 tp -93.4 140.58 29.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.56 154.63 45.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.081 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.9 t -121.47 123.14 68.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -125.28 112.98 17.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.4 mt -116.77 140.91 37.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.0 p -137.61 171.71 14.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.03 -175.17 2.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -53.43 -37.68 62.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -81.33 -25.76 36.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.35 40.77 3.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.445 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -96.53 156.3 36.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.569 0.699 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 127.64 14.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.636 2.224 . . . . 0.0 112.354 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -115.98 141.04 48.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -76.64 132.36 39.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.86 149.23 51.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.9 mt -93.12 149.24 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.17 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.4 p -124.64 125.08 69.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -116.01 136.2 53.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -111.11 121.62 45.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -103.63 -36.53 7.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? 64.77 36.38 8.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -131.74 30.6 4.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 80.09 22.47 63.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.511 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.3 p -148.6 176.19 10.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 111.085 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -152.04 136.38 16.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -113.38 143.25 44.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.558 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 69.3 t -141.47 127.58 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.7 m -109.38 145.88 35.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.578 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 9.2 p90 -151.43 134.26 15.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 43.1 mt -108.76 96.55 20.31 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.634 0.73 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.578 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.7 Cg_endo -69.75 91.14 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -93.84 33.33 1.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -153.8 127.96 9.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.1 p -78.94 129.83 34.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 153.07 -143.55 10.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -110.57 136.06 50.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.866 0.365 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -114.15 124.38 51.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -105.89 110.43 22.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.449 HD12 ' CD1' ' A' ' 110' ' ' ILE . 45.0 mt -103.17 124.54 57.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.16 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -110.34 91.56 0.63 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 98.3 t -79.01 130.97 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.946 0.403 . . . . 0.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 29.2 p -129.94 145.49 51.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -133.67 119.51 19.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.418 ' HA3' ' CE2' ' A' ' 19' ' ' TYR . . . 59.99 45.14 96.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 62.52 35.05 91.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -150.35 119.78 6.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -75.01 139.61 43.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 23.2 pt -74.07 153.7 88.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.589 0.709 . . . . 0.0 111.161 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 3.07 2.97 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 105' ' ' LEU . 4.2 mm? -95.95 -31.79 12.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.497 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.5 m -83.23 160.92 58.86 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.673 0.749 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 106' ' ' SER . 54.0 Cg_endo -69.78 170.82 56.71 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.322 0.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -110.33 127.69 55.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -97.57 120.37 37.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.449 ' CD1' HD12 ' A' ' 94' ' ' ILE . 30.6 mt -136.05 150.32 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -122.08 117.04 25.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.14 99.21 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 71.2 p -71.61 124.26 24.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? -97.53 147.22 24.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 69.0 m -155.74 105.37 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -116.38 -170.46 15.69 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.7 172.51 12.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.05 107.29 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.795 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -162.2 165.7 26.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.911 0.386 . . . . 0.0 110.838 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 p -170.97 177.72 3.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.32 173.81 29.06 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -154.54 169.63 23.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 110.898 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -131.42 159.59 37.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.829 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.37 96.26 0.12 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.456 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -134.18 136.8 43.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 m -172.73 143.39 1.17 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.662 0.744 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -165.74 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.294 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 11' ' ' PHE . 29.6 p90 -128.56 89.65 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -138.75 172.23 13.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.3 p -55.85 149.19 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.166 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.47 113.68 25.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.8 m -100.49 167.58 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.0 mt -49.78 143.83 10.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 0.0 110.941 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.523 ' HB2' ' CD1' ' A' ' 19' ' ' TYR . 53.7 Cg_endo -69.82 151.16 68.67 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.7 m -67.63 -33.94 75.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.523 ' CD1' ' HB2' ' A' ' 17' ' ' PRO . 29.5 p90 -77.72 165.17 24.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -149.74 126.86 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.44 -56.22 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.074 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.7 t -51.24 -22.44 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -83.15 20.04 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.434 HG21 ' CB ' ' A' ' 51' ' ' ALA . 68.0 t -116.05 126.85 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.1 p -132.73 132.35 42.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.57 145.25 41.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.2 m -147.53 152.11 37.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.75 -174.12 23.68 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -34.58 14.46 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.661 2.241 . . . . 0.0 112.393 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.77 -19.42 58.45 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mt -121.13 24.47 10.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 0.0 110.937 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.2 t -71.1 111.42 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.7 p -57.26 -29.24 63.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -64.35 -32.61 74.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.9 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.7 157.85 7.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 m -121.58 146.84 46.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.603 0.715 . . . . 0.0 111.123 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 120.24 7.06 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.715 2.277 . . . . 0.0 112.313 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 39' ' ' SER . . . -63.2 171.42 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' ALA . 51.9 m 36.21 37.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.8 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.448 HD11 ' N ' ' A' ' 41' ' ' PRO . 1.5 tm? -137.69 123.77 13.05 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.63 0.728 . . . . 0.0 110.94 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.448 ' N ' HD11 ' A' ' 40' ' ' LEU . 53.4 Cg_endo -69.77 98.01 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 p -109.36 144.96 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -138.96 139.21 37.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -104.79 -176.41 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.64 133.86 42.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.063 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.2 mt -108.42 106.72 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.91 120.08 39.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -115.06 125.69 53.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -95.05 -52.44 4.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -118.08 28.75 8.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.434 ' CB ' HG21 ' A' ' 24' ' ' VAL . . . -89.79 -20.7 23.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.12 -136.69 43.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -120.66 141.25 50.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.28 146.9 10.21 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.466 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 tt -51.55 105.99 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.943 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.9 tp -86.5 136.87 32.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.21 138.69 49.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.9 t -112.46 108.67 26.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -110.02 117.48 33.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.6 mt -124.56 130.21 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.9 p -136.19 153.76 51.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.1 p30 -114.62 -175.82 2.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.435 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -52.36 -25.83 10.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.435 ' N ' ' OE1' ' A' ' 63' ' ' GLN . 4.6 tp10 -82.45 -23.51 34.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.81 10.14 73.16 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.6 pttt -91.94 152.87 43.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.524 0.678 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 132.05 22.58 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.691 2.261 . . . . 0.0 112.37 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -104.19 150.04 24.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.2 ttm-85 -71.35 121.08 17.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -134.35 146.98 50.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.9 mt -98.39 141.52 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.6 p -106.06 119.93 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.458 ' HB3' ' CB ' ' A' ' 81' ' ' ALA . 1.8 t60 -99.9 123.38 44.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -114.79 111.4 21.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -92.41 -28.61 16.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? 53.65 32.02 13.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -122.91 -10.37 8.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 129.96 22.81 1.1 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.6 p -152.76 178.02 10.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 111.12 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -152.15 125.31 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.458 ' CB ' ' HB3' ' A' ' 73' ' ' HIS . . . -113.1 148.55 35.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 31.9 t -142.62 121.08 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.5 m -100.39 140.02 35.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -148.72 136.56 20.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.409 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 31.0 mt -108.66 104.45 54.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.585 0.707 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 85' ' ' ILE . 53.7 Cg_endo -69.79 88.14 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.56 -57.86 7.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.814 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -74.08 171.67 13.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 42.8 p -123.6 134.45 53.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.103 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 152.42 -121.71 1.21 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.428 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -114.6 141.11 48.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -125.0 127.47 47.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 50.6 ttm -110.64 126.4 54.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 51.8 mt -122.39 124.85 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -113.07 94.4 0.72 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.9 t -80.62 130.66 35.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 111.145 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 17.7 p -129.07 149.36 50.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -139.87 116.9 11.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.482 ' HA3' ' CE2' ' A' ' 19' ' ' TYR . . . 62.36 44.65 97.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.469 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 64.9 26.58 71.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -141.84 118.84 11.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -81.93 130.44 35.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 13.7 pt -59.56 153.29 51.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 111.162 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 3.01 3.02 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -97.08 -25.01 15.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.518 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 4.9 p -82.92 153.35 67.01 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.684 0.754 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.79 -176.94 13.53 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.317 0.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -119.83 131.98 55.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 29.9 mmm-85 -95.96 121.05 37.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.846 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.3 mt -139.68 151.71 22.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -130.11 131.14 45.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.69 119.97 29.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 80.6 p -100.4 101.67 12.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -85.31 120.97 27.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 7.2 p -123.05 102.38 7.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 67.49 78.15 0.29 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.52 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -61.29 -53.85 51.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -80.19 128.31 33.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 67.1 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.769 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 t -168.82 118.68 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.872 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 m -158.62 174.26 15.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.68 130.17 1.61 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -161.84 164.91 28.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.858 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -170.84 166.14 7.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.807 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.87 147.85 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.498 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -172.75 107.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 110.814 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -106.6 131.57 21.6 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.625 0.726 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' PHE . 53.0 Cg_endo -69.84 -19.66 35.48 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.328 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' PRO . 10.0 t80 38.25 41.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -84.1 41.79 0.84 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.7 m -100.68 130.39 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.46 81.98 2.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.9 m -123.43 151.18 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.3 mt -70.7 143.95 90.39 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.626 0.727 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.566 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 53.9 Cg_endo -69.76 149.97 67.56 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.728 2.285 . . . . 0.0 112.368 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.4 m -66.48 -36.52 82.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.566 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 18.5 p90 -68.77 176.62 2.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -168.31 132.77 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.71 -45.8 16.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 82.4 p -49.32 -31.88 10.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -88.15 24.65 1.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.2 t -113.36 128.8 69.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.0 p -137.91 160.3 39.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.169 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . . . -140.46 147.72 40.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.0 p -147.6 151.42 36.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.25 -178.17 21.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -34.93 13.51 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.735 2.29 . . . . 0.0 112.354 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.466 ' CA ' HG22 ' A' ' 42' ' ' VAL . . . -55.12 -31.84 56.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 26' ' ' ALA . 8.0 mt -108.86 25.11 12.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.818 0.342 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.7 t -65.45 125.27 24.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.3 m -72.01 -35.41 69.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.824 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -61.29 -33.52 73.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.29 154.83 6.46 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.4 m -117.38 151.92 48.66 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.647 0.737 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 116.59 4.63 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.87 161.22 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.086 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t 38.93 45.81 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.473 HD11 ' N ' ' A' ' 41' ' ' PRO . 0.4 OUTLIER -141.03 128.76 12.15 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.659 0.742 . . . . 0.0 110.927 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.473 ' N ' HD11 ' A' ' 40' ' ' LEU . 54.1 Cg_endo -69.77 98.4 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.466 HG22 ' CA ' ' A' ' 30' ' ' GLY . 6.8 p -110.66 149.16 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -143.45 147.41 34.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.556 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 13.2 p90 -113.09 -179.84 3.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.57 133.89 50.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.057 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 30.5 mt -108.22 100.09 10.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -95.09 117.91 30.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -109.97 125.53 52.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.406 ' CG ' ' H ' ' A' ' 50' ' ' ASP . 24.3 ptt180 -95.29 -55.77 2.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.406 ' H ' ' CG ' ' A' ' 49' ' ' ARG . 0.8 OUTLIER -122.15 32.27 5.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.63 -23.91 16.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.049 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.47 -140.23 33.28 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -122.46 132.47 54.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.51 173.93 34.28 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.429 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mt -67.01 99.37 0.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.1 tp -85.91 131.17 34.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.88 153.86 50.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.3 t -131.14 104.72 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -106.09 107.21 18.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.8 mt -111.12 131.22 62.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.1 p -136.8 168.98 18.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.0 -178.64 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -51.09 -38.34 51.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -81.79 -25.78 34.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.5 34.63 5.73 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -90.41 153.39 46.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 123.81 10.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.661 2.241 . . . . 0.0 112.351 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -105.79 159.09 16.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.2 ttm-85 -79.02 125.4 29.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.53 124.55 27.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.2 mt -100.19 147.59 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.4 p -115.66 125.74 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -112.46 134.09 54.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.1 117.94 35.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -101.49 -30.84 11.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.31 30.25 19.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -125.33 30.1 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.17 25.91 58.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.3 p -152.14 174.48 13.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.776 0.322 . . . . 0.0 111.162 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -152.06 134.33 15.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.93 145.84 38.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.062 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.556 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 59.9 t -139.39 117.3 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.447 HG21 ' N ' ' A' ' 84' ' ' TYR . 21.6 m -98.69 144.16 28.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.577 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 7.0 p90 -150.19 132.67 15.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 62.3 mt -106.29 98.2 18.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.584 0.707 . . . . 0.0 111.16 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.577 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.82 98.44 0.69 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -62.73 -66.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -82.89 164.83 20.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.0 p -110.16 140.61 44.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 157.38 -143.65 9.77 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.3 mtt-85 -90.54 125.11 35.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.794 0.33 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -113.85 120.86 42.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 12.1 tpp -108.16 126.17 52.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.426 HG21 ' N ' ' A' ' 95' ' ' GLY . 50.0 mt -121.86 141.14 43.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.155 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.426 ' N ' HG21 ' A' ' 94' ' ' ILE . . . -123.08 96.59 0.55 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.0 t -84.47 118.58 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.955 0.407 . . . . 0.0 111.112 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.1 p -118.94 144.61 46.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -135.66 114.64 12.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.961 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.469 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . 63.32 46.69 92.26 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 59.99 32.92 76.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -148.2 117.38 6.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.02 139.19 39.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 9.3 pt -71.66 155.38 92.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.634 0.731 . . . . 0.0 111.097 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 2.74 3.24 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.67 2.247 . . . . 0.0 112.376 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -101.88 -29.82 11.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.529 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 2.9 p -78.49 154.53 79.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.682 0.753 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 106' ' ' SER . 54.1 Cg_endo -69.71 -177.25 14.07 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.368 -0.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -115.79 125.78 53.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.944 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 44.5 mtt-85 -88.64 122.91 32.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 19.8 mt -143.91 157.46 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -144.65 130.76 19.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.08 117.07 26.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.9 t -104.52 137.91 41.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -115.26 121.43 42.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 52.5 m -129.1 110.8 12.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 161.62 99.7 0.15 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.53 146.56 48.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.866 0.365 . . . . 0.0 110.848 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -133.92 121.74 22.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.782 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -162.93 177.37 9.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.854 0.359 . . . . 0.0 110.85 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -161.26 175.23 12.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.06 148.47 4.79 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 t -155.43 159.08 39.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 110.865 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -103.5 -64.14 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.823 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.6 101.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.7 mtt85 -153.38 156.44 38.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 99.3 p -136.86 150.57 70.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.612 0.72 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 92.73 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.533 ' O ' ' CG ' ' A' ' 11' ' ' PHE . 1.4 p90 -174.28 118.64 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -150.77 113.69 4.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.3 p -91.21 135.05 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -92.79 115.86 28.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.6 m -129.37 -178.64 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mp -97.77 143.96 27.15 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.718 . . . . 0.0 110.936 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.42 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 53.4 Cg_endo -69.77 162.82 40.63 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.66 2.24 . . . . 0.0 112.305 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.3 m -94.5 -23.85 17.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.42 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 4.7 p90 -65.43 147.5 53.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -148.11 108.69 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.4 -41.36 84.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.2 p -52.51 -27.59 17.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -91.24 33.45 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.933 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.8 t -117.68 122.19 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.4 p -142.12 151.01 41.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.163 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -135.77 152.23 50.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.073 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.9 m -145.74 152.51 39.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.99 -173.15 23.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -35.61 12.4 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.722 2.281 . . . . 0.0 112.324 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.95 -25.27 45.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.7 mt -118.11 20.98 13.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.822 0.344 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.2 t -62.38 117.28 5.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.7 p -67.01 -32.42 73.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -62.69 -30.15 71.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.02 155.51 7.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.4 m -122.58 150.77 58.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.602 0.715 . . . . 0.0 111.136 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 114.85 3.84 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.94 166.26 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t 38.58 43.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.822 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.47 HD13 ' N ' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -141.8 128.0 11.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 0.0 110.897 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.47 ' N ' HD13 ' A' ' 40' ' ' LEU . 54.0 Cg_endo -69.79 97.42 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.635 2.223 . . . . 0.0 112.332 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.47 HG22 ' N ' ' A' ' 43' ' ' ASP . 9.2 p -111.6 143.1 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.47 ' N ' HG22 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -136.3 152.13 50.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -117.76 -176.38 3.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.46 127.71 35.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.051 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.3 mt -96.97 101.96 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -90.68 117.15 29.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -107.93 125.17 51.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -95.73 -57.23 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -122.81 26.2 8.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.57 17.25 2.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.85 -137.07 1.03 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -131.72 119.77 21.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.924 0.393 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -150.53 172.65 30.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.5 tp -76.28 110.89 11.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.884 0.373 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.6 tp -88.2 136.19 33.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -128.21 143.36 51.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.6 t -121.47 142.01 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -142.65 124.03 14.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 93.4 mt -123.43 140.6 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.8 p -141.12 166.14 25.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.09 -176.13 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -54.33 -36.67 64.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -82.19 -25.68 34.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.56 33.31 5.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -96.82 153.24 38.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.64 0.733 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 127.65 14.93 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -113.58 139.96 48.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -55.73 117.38 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -126.75 129.65 48.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.059 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 72' ' ' VAL . 46.7 mt -94.52 134.95 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.4 ' N ' HG23 ' A' ' 71' ' ' ILE . 97.2 t -106.17 105.53 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -83.98 133.06 34.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -112.41 117.57 32.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -103.0 -35.47 8.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm 60.56 29.44 19.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -126.65 32.2 5.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.09 24.24 57.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.1 p -152.64 172.52 16.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 111.115 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -150.21 140.4 22.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -121.82 145.42 48.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.1 t -142.13 124.64 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.7 m -105.1 144.84 31.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.567 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 7.8 p90 -148.67 138.88 22.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.418 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 19.5 mt -114.29 99.97 51.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.617 0.723 . . . . 0.0 111.125 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.567 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.75 93.43 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.679 2.252 . . . . 0.0 112.332 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -52.74 -62.22 1.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -95.68 175.4 6.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 46.3 p -106.37 167.19 10.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.171 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 133.92 -128.39 4.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.44 145.51 44.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 110.897 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -130.0 129.97 44.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.2 tpt -108.19 123.93 49.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 36.4 mt -122.63 125.83 73.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.49 105.84 1.59 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.453 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.8 t -94.0 129.44 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.382 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.7 p -124.63 143.05 50.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -130.57 126.3 36.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 52.49 43.32 58.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.446 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 64.15 32.4 84.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -148.23 117.46 6.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.827 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.24 141.27 38.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 12.1 pt -71.51 155.08 93.03 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.721 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 3.2 2.93 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.655 2.236 . . . . 0.0 112.298 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 62.2 mt -104.29 -24.04 13.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.531 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 4.6 p -83.25 153.65 66.12 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.646 0.736 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.7 Cg_endo -69.73 179.4 22.35 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.346 -0.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -109.92 138.38 46.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -101.92 127.79 48.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.452 HG23 ' N ' ' A' ' 111' ' ' ARG . 15.3 mt -145.35 148.4 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.452 ' N ' HG23 ' A' ' 110' ' ' ILE . 46.4 mtt85 -123.65 114.46 20.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.01 107.85 12.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.1 t -104.5 147.25 27.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.0 -40.42 3.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 3.9 m 48.79 51.53 15.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -135.38 -115.36 1.49 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.502 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.89 175.23 5.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.895 0.378 . . . . 0.0 110.816 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -162.06 161.05 28.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.766 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -170.21 130.28 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.896 0.379 . . . . 0.0 110.812 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.7 p -169.12 175.82 5.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.841 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.31 151.43 7.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.52 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -172.18 106.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 110.837 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.1 p -149.55 159.43 44.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.56 69.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.5 mtp-105 -149.21 135.24 18.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.4 p -134.46 85.79 36.75 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.692 0.758 . . . . 0.0 110.839 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 168.36 21.72 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.348 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.459 ' O ' ' CG ' ' A' ' 11' ' ' PHE . 10.1 p90 -160.42 121.35 2.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -172.21 162.42 5.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.5 m -37.91 117.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -70.51 114.92 9.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.0 m -132.38 150.01 32.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mp -50.24 145.43 10.0 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.605 0.717 . . . . 0.0 110.953 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.531 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 53.3 Cg_endo -69.8 157.52 60.02 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.298 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.2 m -82.17 -27.95 32.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.531 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 4.0 p90 -63.72 151.83 40.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.959 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.08 119.34 8.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.466 ' O ' ' CG2' ' A' ' 103' ' ' ILE . . . -64.04 -51.04 66.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.9 m -48.73 -29.69 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -85.85 27.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.436 HG22 ' CB ' ' A' ' 51' ' ' ALA . 53.5 t -116.56 117.43 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.2 p -127.48 153.99 45.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.69 145.84 45.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 87.7 p -138.72 154.79 48.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.96 179.6 18.44 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 -33.33 17.03 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.276 . . . . 0.0 112.35 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.1 -35.08 67.94 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.0 mt -103.16 23.18 12.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.822 0.344 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.7 t -70.54 116.54 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.8 m -85.87 26.88 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -114.45 -34.13 5.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.27 125.29 1.67 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.4 m -110.11 148.87 39.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.729 . . . . 0.0 111.102 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 122.26 8.94 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.345 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.01 163.18 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.6 t 40.75 40.79 1.02 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -132.9 122.82 17.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.559 0.695 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 98.05 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 p -110.18 149.78 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -143.0 141.26 31.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.511 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 7.6 p90 -104.62 -178.45 3.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.93 128.51 48.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.3 mt -101.63 104.15 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.173 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.86 120.7 41.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -109.27 125.29 52.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.053 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -95.56 -56.79 2.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -122.31 24.01 9.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.436 ' CB ' HG22 ' A' ' 24' ' ' VAL . . . -88.95 -5.34 58.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 46.85 -147.47 3.13 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -100.26 129.83 46.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.923 0.392 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.598 ' N ' ' CE2' ' A' ' 98' ' ' TYR . . . -158.77 144.6 10.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tt -52.06 111.34 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.6 tp -91.73 144.18 25.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.56 140.14 24.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.5 t -118.94 107.34 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -107.49 106.86 17.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.8 mt -108.96 131.72 58.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 p -131.98 169.49 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.05 -175.12 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -55.19 -36.1 65.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -83.16 -25.61 31.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.95 44.02 2.32 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.474 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.3 mmtm -103.25 157.52 33.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.607 0.718 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 132.84 24.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.682 2.254 . . . . 0.0 112.396 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -117.37 158.39 24.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -79.19 120.71 24.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.42 130.41 45.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.8 mt -94.68 142.46 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.1 t -112.53 119.59 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -106.02 139.74 40.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -113.78 119.01 35.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -102.86 -30.06 11.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm 61.11 27.86 17.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -122.69 28.12 7.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.96 7.29 87.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.521 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.2 p -133.43 170.78 14.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.8 0.333 . . . . 0.0 111.164 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -149.13 136.78 20.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -113.76 143.64 44.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.511 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 50.6 t -135.06 119.79 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.8 m -100.21 142.28 31.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.565 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 10.0 p90 -150.38 136.79 18.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.8 mt -114.14 99.69 51.19 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.623 0.725 . . . . 0.0 111.135 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.565 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.1 Cg_endo -69.79 110.57 2.59 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.33 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -85.08 -58.47 2.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -85.39 90.77 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 64.1 p -46.82 149.83 0.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.134 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 142.89 -146.29 16.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -78.71 136.75 37.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -132.34 112.5 12.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 38.2 ttm -102.95 131.27 50.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 55.1 mt -125.1 133.99 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -121.63 98.76 0.66 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.467 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.5 t -79.65 151.32 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.955 0.407 . . . . 0.0 111.119 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.8 p -148.52 146.64 28.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.598 ' CE2' ' N ' ' A' ' 54' ' ' GLY . 4.4 t80 -138.71 112.94 8.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 68.16 44.9 74.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.0 30.65 78.11 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.509 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -148.35 121.24 8.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.52 151.91 37.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.466 ' CG2' ' O ' ' A' ' 21' ' ' ALA . 4.6 pt -82.55 157.11 67.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.68 0.752 . . . . 0.0 111.075 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 4.07 2.4 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.722 2.281 . . . . 0.0 112.302 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 86.2 mt -99.52 -36.32 9.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.529 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 59.1 p -70.83 152.84 95.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.669 0.747 . . . . 0.0 110.846 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.2 Cg_endo -69.8 -176.37 12.57 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.297 0.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -121.9 131.44 54.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -94.09 123.61 37.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.447 HG23 ' N ' ' A' ' 111' ' ' ARG . 13.0 mt -144.75 147.12 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.447 ' N ' HG23 ' A' ' 110' ' ' ILE . 32.9 mtt-85 -123.05 148.99 44.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -114.81 109.51 18.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.9 t -104.34 147.43 27.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.104 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.93 136.27 47.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.2 t -130.53 -43.2 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -84.09 126.97 7.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.465 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -89.96 86.87 6.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.351 . . . . 0.0 110.83 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.5 144.12 4.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.764 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m 66.06 41.66 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.907 0.384 . . . . 0.0 110.849 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -77.51 -56.79 4.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.96 -162.48 0.14 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -161.74 150.18 15.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -153.99 164.59 38.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.82 61.76 0.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.12 91.99 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 0.0 110.812 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.5 m -110.62 93.07 15.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.639 0.733 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.53 ' O ' ' CG ' ' A' ' 11' ' ' PHE . 53.9 Cg_endo -69.72 155.13 66.86 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.667 2.245 . . . . 0.0 112.297 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.53 ' CG ' ' O ' ' A' ' 10' ' ' PRO . 64.1 m-85 -164.43 135.85 4.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.455 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -153.19 140.72 19.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -137.7 145.97 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -90.21 78.55 6.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.7 m -130.64 126.72 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -54.56 142.52 51.61 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.656 0.741 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 171.21 14.83 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 89.4 m -105.09 -21.85 13.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.426 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 4.9 p90 -58.64 167.91 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -156.7 133.33 10.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.59 -44.83 32.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.07 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -57.52 -28.5 63.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -84.46 28.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.436 HG22 ' CB ' ' A' ' 51' ' ' ALA . 41.8 t -120.87 127.7 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.4 p -136.05 142.81 44.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.17 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HB1' ' CD1' ' A' ' 31' ' ' LEU . . . -119.56 142.58 48.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.9 m -145.19 133.97 22.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.79 -176.45 37.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.452 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -32.57 18.01 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.282 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.403 ' CA ' HG22 ' A' ' 42' ' ' VAL . . . -59.47 -29.65 66.88 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.462 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 6.7 mt -106.88 27.81 8.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.2 t -73.99 116.26 14.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.9 p -83.62 13.32 4.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -101.25 -29.91 11.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.23 124.6 2.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.1 m -110.72 150.69 42.13 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.576 0.703 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 127.06 14.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.707 2.271 . . . . 0.0 112.356 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.3 142.95 45.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.5 m 63.32 30.04 15.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -122.78 135.33 25.64 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.667 0.746 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 96.16 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.561 HG12 ' CE2' ' A' ' 84' ' ' TYR . 9.3 p -114.02 143.65 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -143.32 143.53 31.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.536 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 7.9 p90 -105.69 175.54 5.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.33 135.24 55.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.3 mt -110.22 111.36 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.18 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.68 120.97 43.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -109.86 125.53 52.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -95.32 -56.49 2.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -115.27 -7.35 12.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.436 ' CB ' HG22 ' A' ' 24' ' ' VAL . . . -57.98 -16.91 14.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.48 -145.28 42.37 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -111.88 137.24 50.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.84 168.0 40.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.8 tp -65.1 105.61 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 110.895 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.9 tp -93.89 140.26 29.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -142.55 148.39 37.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.027 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 83.9 t -126.24 114.57 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -110.39 111.35 22.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 60.3 mt -112.01 132.76 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 p -136.59 162.16 33.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.29 -179.53 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -50.96 -41.56 59.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -86.63 -25.71 24.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.36 46.8 0.84 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -97.43 152.93 38.49 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.708 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 136.92 34.08 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.337 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.75 131.76 53.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.5 ttm-85 -60.46 122.93 15.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.07 135.7 52.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.054 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.6 mt -106.51 140.91 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 93.7 t -110.17 109.05 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -99.43 115.8 30.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.8 119.87 28.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -99.46 -32.72 10.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt 57.98 29.14 17.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -124.64 29.2 6.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.3 23.87 58.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 39.3 p -151.91 176.75 11.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 111.148 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -152.04 137.94 18.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -114.83 146.32 41.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.536 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 58.3 t -138.53 113.81 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 84' ' ' TYR . 85.7 m -96.92 144.95 26.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.568 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 8.4 p90 -151.43 131.59 13.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 74.4 mt -109.24 99.02 34.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.579 0.704 . . . . 0.0 111.148 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.568 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.8 Cg_endo -69.8 98.24 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.636 2.224 . . . . 0.0 112.337 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -64.28 -60.3 3.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.8 mttp -81.31 174.11 11.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.3 p -116.1 142.32 46.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.87 178.58 21.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.49 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.3 ttp-105 -63.02 117.83 7.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -102.83 122.99 45.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 28.6 tpp -100.66 129.25 46.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 53.5 mt -126.81 131.77 70.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -121.07 100.97 0.77 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 97' ' ' THR . 47.4 t -86.8 139.72 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.4 . . . . 0.0 111.15 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.436 ' N ' HG13 ' A' ' 96' ' ' VAL . 27.8 p -131.79 146.13 51.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -130.36 120.57 24.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.9 46.11 84.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.1 34.72 90.72 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.443 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.41 118.64 5.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.852 0.358 . . . . 0.0 110.834 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.51 144.27 49.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 18.8 pt -81.31 153.24 71.42 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.661 0.743 . . . . 0.0 111.117 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 5.56 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 94.2 mt -99.81 -32.07 11.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.495 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.6 m -83.28 160.63 59.35 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.68 0.752 . . . . 0.0 110.843 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.7 Cg_endo -69.81 -179.04 18.15 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.341 0.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -120.91 130.0 53.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.82 131.79 43.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.411 HG21 ' N ' ' A' ' 111' ' ' ARG . 10.8 mt -147.2 149.3 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.411 ' N ' HG21 ' A' ' 110' ' ' ILE . 66.1 mtm180 -124.24 125.6 44.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.65 110.88 21.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.3 p -89.74 123.24 33.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -122.45 101.18 7.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 26.2 m -158.2 117.22 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -157.63 133.3 3.48 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -58.43 154.1 14.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -131.0 -58.15 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.7 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.776 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -117.34 103.91 10.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -146.58 175.06 10.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.914 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.34 153.53 7.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -162.57 142.63 9.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -134.57 175.63 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.58 152.41 16.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.3 ttt85 -112.87 85.62 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 m -48.02 158.62 0.54 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 110.879 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -23.33 30.63 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.342 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 44.02 42.71 4.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.93 65.07 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.417 ' CG1' HG23 ' A' ' 15' ' ' VAL . 95.0 t -133.29 142.05 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' N ' HG12 ' A' ' 13' ' ' VAL . 40.6 mttp -132.37 52.48 2.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.417 HG23 ' CG1' ' A' ' 13' ' ' VAL . 32.8 m -133.16 144.52 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.0 mt -56.04 143.72 61.57 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.611 0.719 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.407 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 53.2 Cg_endo -69.82 160.58 49.16 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.311 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.8 m -89.05 -26.01 21.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.159 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.407 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 3.6 p90 -67.8 148.42 51.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -148.78 110.83 4.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.444 ' O ' ' CG2' ' A' ' 103' ' ' ILE . . . -64.63 -44.54 90.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.063 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.5 p -51.31 -33.04 27.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm -87.52 34.79 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -121.73 126.35 74.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.0 p -139.66 148.95 43.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.44 149.37 52.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.111 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.2 m -149.29 148.71 29.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.55 -173.76 24.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -35.73 12.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.721 2.28 . . . . 0.0 112.294 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.44 -29.74 39.63 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.524 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 mt -117.13 27.41 9.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.7 t -62.41 120.66 11.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.5 p -65.8 -36.83 84.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -60.21 -32.01 70.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 134.69 153.77 6.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 m -116.14 152.38 47.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.628 0.727 . . . . 0.0 111.141 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 127.81 15.09 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.235 . . . . 0.0 112.354 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.28 142.4 47.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.9 m 62.69 27.99 16.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -124.69 132.07 24.24 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.574 0.702 . . . . 0.0 110.937 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 98.49 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.652 2.234 . . . . 0.0 112.371 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.52 HG13 ' CZ ' ' A' ' 84' ' ' TYR . 14.8 p -109.47 146.28 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -143.43 143.41 31.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.829 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.496 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 17.4 p90 -112.7 -177.32 3.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.37 127.44 29.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.099 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.5 mt -97.56 103.12 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.083 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -92.46 108.3 19.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 51' ' ' ALA . . . -109.08 125.15 51.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -95.79 -55.8 2.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -121.76 31.36 6.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.468 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . . . -82.45 12.37 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 47.17 -150.94 2.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -121.25 120.48 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.381 . . . . 0.0 110.931 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -149.06 176.74 27.69 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 tt -86.17 105.34 16.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.824 0.345 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.7 tp -76.08 130.47 38.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.86 125.56 45.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.2 t -98.54 115.72 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -116.5 110.67 18.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 25.5 mt -121.55 122.17 66.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.184 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.5 p -128.49 156.01 43.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -114.68 -178.69 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -50.86 -22.8 2.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.416 ' HG2' ' CE ' ' A' ' 66' ' ' LYS . 3.3 tp10 -84.97 -25.86 27.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.65 12.84 63.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.416 ' CE ' ' HG2' ' A' ' 64' ' ' GLU . 13.1 ptpt -96.1 153.03 39.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 126.62 13.55 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.711 2.274 . . . . 0.0 112.326 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -97.88 153.82 18.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -66.35 120.6 13.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -130.95 152.41 50.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.6 mt -116.3 142.42 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 p -111.82 131.77 62.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -120.64 126.15 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -102.78 120.09 39.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -96.89 -21.94 17.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.72 26.08 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -122.53 23.02 9.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 88.45 24.76 32.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.5 p -150.29 171.54 16.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 111.155 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -146.74 135.74 22.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.95 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.414 ' C ' HG23 ' A' ' 82' ' ' VAL . . . -117.2 144.93 44.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.496 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 97.3 t -142.54 120.11 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.6 m -98.0 138.04 35.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.109 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.526 ' CE1' ' HD3' ' A' ' 86' ' ' PRO . 2.5 p90 -144.04 131.06 20.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 31.4 mt -109.98 103.18 52.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.64 0.733 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.526 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 53.3 Cg_endo -69.77 88.58 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.241 . . . . 0.0 112.342 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -65.71 -40.07 91.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -89.78 168.04 12.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 66.2 p -120.28 137.9 53.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.11 -125.34 2.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -110.98 141.72 44.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.359 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -126.56 125.18 41.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.401 ' HE1' ' CG ' ' A' ' 109' ' ' ARG . 2.3 tpt -104.99 122.21 45.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 77.2 mt -117.14 122.38 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -111.86 95.04 0.78 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.0 t -80.59 108.82 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.921 0.391 . . . . 0.0 111.131 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.407 HG21 ' CG ' ' A' ' 102' ' ' ASP . 40.9 p -107.61 142.62 37.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -132.36 118.89 19.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.4 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . 56.11 47.6 79.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 60.73 35.87 90.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -152.52 117.34 5.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' A' ' 102' ' ' ASP . 0.2 OUTLIER -77.45 137.79 38.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.444 ' CG2' ' O ' ' A' ' 21' ' ' ALA . 14.7 pt -70.69 154.52 94.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.565 0.698 . . . . 0.0 111.167 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 2.73 3.26 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.68 2.254 . . . . 0.0 112.396 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -102.32 -25.2 13.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.5 m -90.33 160.92 38.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.635 0.731 . . . . 0.0 110.85 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.5 Cg_endo -69.7 -179.28 18.62 Favored 'Cis proline' 0 C--O 1.231 0.149 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.331 -0.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -117.41 132.58 56.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.401 ' CG ' ' HE1' ' A' ' 93' ' ' MET . 27.5 mtp180 -96.25 126.31 41.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 40.8 mt -140.39 149.84 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -131.01 126.98 37.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -81.37 112.89 19.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 73.9 p -82.42 101.08 10.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -82.74 127.39 33.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 23.9 m -87.45 -51.52 5.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 162.85 -129.3 2.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -55.22 152.2 8.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -110.06 101.48 10.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 98.7 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.829 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 p -123.8 177.81 5.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.911 0.386 . . . . 0.0 110.821 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -104.99 -61.78 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.86 -158.4 29.38 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -133.89 177.0 8.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -137.16 161.42 36.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.07 -178.34 34.62 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -138.48 174.84 10.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.827 0.346 . . . . 0.0 110.872 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.5 m -126.56 76.14 74.17 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.637 0.732 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 160.3 50.24 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.682 2.255 . . . . 0.0 112.375 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.437 ' N ' ' CD1' ' A' ' 11' ' ' PHE . 2.4 p90 -162.9 146.64 11.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.11 93.83 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.6 m -115.45 121.88 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -98.67 73.88 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.7 m -126.43 176.77 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -107.42 143.65 27.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.614 0.721 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.476 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 53.8 Cg_endo -69.78 163.27 38.93 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.667 2.245 . . . . 0.0 112.345 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.1 m -94.68 -20.4 19.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.476 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 6.8 p90 -69.11 147.59 51.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -147.18 114.36 6.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.836 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.16 -45.15 75.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.4 m -49.19 -32.83 11.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -85.91 32.0 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.8 t -124.6 119.03 55.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.9 p -135.45 157.12 47.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.1 150.47 49.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.03 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.5 m -148.59 137.39 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.36 -173.78 31.4 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.438 ' HG2' ' CG2' ' A' ' 42' ' ' VAL . 53.4 Cg_endo -69.75 -33.68 16.15 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.658 2.239 . . . . 0.0 112.352 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.1 -32.18 56.62 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.0 mt -115.38 28.41 8.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 t -65.1 120.59 12.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.5 p -66.18 -36.99 84.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -59.41 -33.22 70.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.949 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.66 157.99 8.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.459 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -119.75 148.95 47.39 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.63 0.729 . . . . 0.0 111.104 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 122.3 8.99 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.715 2.277 . . . . 0.0 112.38 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.0 162.64 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.4 t 42.27 43.16 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.22 117.48 8.15 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.618 0.723 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HB3' ' CG1' ' A' ' 85' ' ' ILE . 54.1 Cg_endo -69.74 98.1 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.712 2.275 . . . . 0.0 112.323 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.438 ' CG2' ' HG2' ' A' ' 29' ' ' PRO . 4.1 p -108.47 141.86 22.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.401 ' N ' HG21 ' A' ' 42' ' ' VAL . 1.3 p-10 -128.7 145.64 51.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.532 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 22.3 p90 -111.57 -174.89 2.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.39 125.35 24.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 34.4 mt -94.92 101.46 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.088 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.25 115.56 26.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 51' ' ' ALA . . . -114.0 125.6 54.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 46.3 mtm180 -95.3 -56.61 2.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.15 29.89 6.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.468 ' HB3' ' CB ' ' A' ' 48' ' ' ALA . . . -81.24 14.77 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.08 -150.39 0.31 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.532 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -116.33 124.67 50.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.77 169.66 34.06 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 tt -80.81 106.27 12.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.972 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 tp -76.39 141.96 41.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.9 141.37 40.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.7 t -126.52 117.54 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -117.57 112.24 20.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.4 mt -110.32 140.97 27.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.3 p -141.91 173.17 11.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.169 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.82 -175.66 2.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -52.86 -38.7 61.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -80.38 -23.16 40.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.77 35.7 5.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.467 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -95.48 154.92 39.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.614 0.721 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 132.19 22.78 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -116.9 147.95 41.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -67.69 120.37 13.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -128.65 124.78 36.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.079 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.4 mt -87.3 145.03 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.9 p -109.69 125.8 66.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -111.88 132.05 54.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -113.14 121.07 43.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -107.19 -32.67 7.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? 61.38 34.85 18.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -128.71 25.91 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 86.02 9.25 77.54 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.0 p -135.83 174.46 10.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.813 0.339 . . . . 0.0 111.113 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -151.71 138.39 18.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.39 137.69 54.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.076 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.532 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 80.9 t -133.63 120.87 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 57.1 m -94.59 144.51 25.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.565 ' CE1' ' HD3' ' A' ' 86' ' ' PRO . 2.5 p90 -152.27 134.57 15.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.416 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 42.2 mt -111.1 102.72 53.56 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.649 0.738 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.565 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 53.9 Cg_endo -69.71 104.54 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -92.3 -52.08 4.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.01 93.62 6.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.8 p -48.18 160.93 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.91 -129.6 6.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.89 144.97 31.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.838 0.351 . . . . 0.0 110.82 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.499 ' CE2' ' HB3' ' A' ' 86' ' ' PRO . 22.8 m-85 -128.7 112.57 14.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.75 122.88 42.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.411 HD11 ' CD1' ' A' ' 110' ' ' ILE . 46.2 mt -114.4 122.9 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -110.28 89.38 0.55 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.8 t -80.11 120.15 30.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.888 0.375 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.5 p -117.46 140.96 48.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -126.44 127.73 45.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 49.12 45.16 33.85 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.443 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.35 33.41 87.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -148.02 117.25 6.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -66.44 132.72 48.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.6 pt -68.64 150.43 97.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.664 0.745 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 2.77 3.22 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.716 2.278 . . . . 0.0 112.375 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -101.22 -20.8 15.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.495 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.5 m -91.77 160.96 35.11 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.72 0.772 . . . . 0.0 110.836 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.9 Cg_endo -69.74 -179.12 18.25 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.333 -0.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -121.79 122.01 38.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.89 134.24 34.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.411 ' CD1' HD11 ' A' ' 94' ' ' ILE . 17.4 mt -152.43 147.02 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -132.18 128.77 38.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -82.11 119.94 24.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 67.6 p -82.67 96.51 8.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.08 112.38 5.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 95.3 m -156.98 121.3 4.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.137 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 106.0 173.05 23.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.467 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.9 t70 47.31 42.27 13.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -103.07 110.44 22.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 92.3 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.809 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -159.74 174.77 14.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.91 0.386 . . . . 0.0 110.834 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 m -144.13 178.02 8.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.18 -167.4 11.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.544 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.4 p -161.11 168.93 23.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.868 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 m -148.78 163.97 35.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.82 153.34 19.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -130.84 150.48 51.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.834 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.7 p -133.94 87.06 36.09 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.665 0.745 . . . . 0.0 110.851 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 168.45 21.58 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.718 2.279 . . . . 0.0 112.36 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -60.63 177.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -131.51 41.76 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.6 t -133.37 137.7 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -134.73 122.47 22.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.8 m -127.84 152.79 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mp -47.22 144.8 4.02 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.642 0.734 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 165.07 32.13 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.257 . . . . 0.0 112.353 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.2 m -98.4 -19.38 17.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -69.07 147.13 51.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -147.43 112.32 5.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.39 -49.12 75.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.47 ' HA ' ' CD ' ' A' ' 104' ' ' PRO . 2.8 m -48.07 -29.77 3.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.406 ' CD ' ' HB3' ' A' ' 50' ' ' ASP . 52.2 mmtt -84.31 26.1 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.5 t -120.54 129.25 75.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.9 p -135.99 156.0 49.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.28 141.4 39.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 m -143.11 150.95 40.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.75 -174.1 24.33 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -35.43 12.86 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.256 . . . . 0.0 112.354 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.91 -23.24 63.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.3 mt -117.27 23.21 11.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.8 t -65.64 119.66 11.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.7 p -63.63 -32.36 73.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -62.12 -27.53 69.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.43 158.36 9.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.6 m -119.86 147.9 45.26 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.606 0.717 . . . . 0.0 111.109 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 119.59 6.51 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.321 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 39' ' ' SER . . . -58.32 165.06 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 38' ' ' ALA . 53.8 m 37.28 38.98 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.415 ' C ' HD12 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -132.66 119.39 16.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 110.911 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 96.35 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.723 2.282 . . . . 0.0 112.292 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -109.84 152.82 11.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -141.96 144.31 33.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.43 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 4.9 p90 -111.86 -178.33 3.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.61 131.92 52.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.4 mt -108.73 111.71 37.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -108.77 120.54 42.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.411 ' CB ' ' HB3' ' A' ' 51' ' ' ALA . . . -106.95 125.72 51.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -95.05 -56.3 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.406 ' HB3' ' CD ' ' A' ' 23' ' ' LYS . 7.5 t0 -122.01 25.81 8.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.411 ' HB3' ' CB ' ' A' ' 48' ' ' ALA . . . -82.13 16.5 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.105 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.38 -150.54 0.13 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -104.44 118.71 37.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.487 ' HA3' ' CE2' ' A' ' 98' ' ' TYR . . . -154.98 164.91 32.01 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 tt -90.28 122.75 33.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.9 tp -81.97 134.21 35.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -128.3 125.21 38.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 97.9 t -108.61 130.07 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -128.5 110.89 12.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 29.6 mt -110.3 135.61 48.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.5 p -137.0 163.92 29.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.86 -176.61 3.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -53.26 -38.76 63.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -80.49 -25.58 38.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.35 37.98 4.4 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -97.91 153.37 38.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.568 0.699 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 135.31 30.15 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -118.87 136.15 54.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -60.13 115.52 3.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -118.78 136.45 53.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 58.1 mt -96.88 136.76 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.1 t -110.13 106.77 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.164 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -86.67 129.9 34.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -109.45 115.69 30.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -103.28 -25.01 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 57.67 31.59 20.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -124.7 28.8 6.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 90.43 -29.8 6.44 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 50.5 p -98.37 176.5 5.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.752 0.31 . . . . 0.0 111.177 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -151.73 134.82 15.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.93 143.29 40.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.08 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.43 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 47.5 t -138.81 119.31 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.456 HG23 ' N ' ' A' ' 84' ' ' TYR . 14.1 m -101.05 146.7 27.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.456 ' N ' HG23 ' A' ' 83' ' ' THR . 22.5 p90 -151.42 128.55 11.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 43.8 mt -103.33 96.54 8.56 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.669 0.747 . . . . 0.0 111.181 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.427 ' HD3' ' CD2' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.72 95.05 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.701 2.267 . . . . 0.0 112.369 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.17 -64.67 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -69.26 176.29 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 73.4 p -127.55 147.88 50.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 143.83 -136.5 6.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -100.48 127.82 46.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -110.04 134.47 52.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 7.6 ttm -118.73 113.5 21.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.418 HD13 ' CD1' ' A' ' 110' ' ' ILE . 52.3 mt -112.34 120.06 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -107.21 92.31 0.76 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.5 t -82.23 134.17 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.936 0.398 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.6 p -135.98 147.89 48.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.487 ' CE2' ' HA3' ' A' ' 54' ' ' GLY . 23.5 t80 -132.81 122.81 25.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.67 39.47 97.95 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.447 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 66.54 30.05 75.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.499 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -144.39 120.34 10.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.58 145.27 45.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.5 HD13 ' CE2' ' A' ' 108' ' ' TYR . 7.0 pt -73.39 155.93 89.33 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.65 0.738 . . . . 0.0 111.119 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.47 ' CD ' ' HA ' ' A' ' 22' ' ' SER . 53.6 Cg_endo -69.76 3.03 3.0 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.702 2.268 . . . . 0.0 112.385 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -105.04 -29.26 10.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.534 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 72.5 p -68.33 152.45 96.55 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.677 0.751 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.4 Cg_endo -69.8 -176.67 13.08 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.293 0.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.5 ' CE2' HD13 ' A' ' 103' ' ' ILE . 28.8 m-85 -118.17 115.24 24.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -85.28 118.84 25.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.418 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.9 mt -144.15 152.17 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.082 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -124.95 154.27 41.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -108.51 100.1 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.072 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 63.3 p -71.9 104.75 3.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -69.27 116.31 9.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.2 t -153.07 156.7 39.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.125 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 85.21 107.21 0.67 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.447 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -109.71 121.46 45.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.333 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -43.37 157.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.759 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -145.54 126.27 14.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.858 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -108.95 -61.22 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.31 -174.11 15.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 p -169.54 177.93 4.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.831 0.348 . . . . 0.0 110.854 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -141.76 177.29 8.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.04 169.23 34.14 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.451 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.0 ptt-85 -174.33 153.74 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.7 m -163.56 111.87 0.98 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.653 0.74 . . . . 0.0 110.851 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 178.93 4.12 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -139.6 166.11 25.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -174.3 175.2 2.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.3 t -39.21 125.13 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -129.05 139.24 52.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.0 m -126.58 162.36 31.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 pp -62.07 138.18 95.79 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.584 0.707 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.556 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 53.5 Cg_endo -69.82 153.89 68.14 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.667 2.244 . . . . 0.0 112.355 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.1 m -75.09 -32.75 61.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.556 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 11.0 p90 -65.85 159.38 25.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -150.03 110.94 4.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.49 -46.61 88.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.07 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.3 m -51.31 -31.29 21.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -85.39 28.35 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.422 HG21 ' CB ' ' A' ' 51' ' ' ALA . 98.1 t -115.6 126.64 73.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.8 p -131.42 159.0 39.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.91 147.94 42.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.094 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.8 m -147.27 149.65 33.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.77 -174.7 23.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -37.47 9.21 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.88 -34.74 38.25 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.527 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 mt -111.14 24.52 12.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.4 t -61.22 120.7 10.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.6 t -64.35 -38.16 90.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -59.14 -33.75 71.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.943 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.34 158.51 8.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 m -117.7 149.08 44.43 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.58 0.705 . . . . 0.0 111.131 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 119.65 6.56 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.84 162.34 2.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.086 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 t 42.08 43.23 2.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.417 ' C ' HD12 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -141.76 123.26 8.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.567 0.699 . . . . 0.0 110.946 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 102.69 1.05 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.738 2.292 . . . . 0.0 112.337 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.571 HG13 ' CE2' ' A' ' 84' ' ' TYR . 9.7 p -114.08 142.96 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.455 ' N ' HG22 ' A' ' 42' ' ' VAL . 2.7 p30 -135.2 148.33 49.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.541 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 13.0 p90 -112.19 -177.6 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.6 123.63 29.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.6 mt -95.61 101.96 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.6 118.56 33.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 51' ' ' ALA . . . -111.28 125.66 54.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.075 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -95.17 -55.95 2.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -122.1 32.17 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.443 ' HB3' ' CB ' ' A' ' 48' ' ' ALA . . . -93.66 -21.07 19.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.19 -144.12 44.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.435 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -117.64 143.69 45.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.929 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -173.61 154.36 19.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.2 tp -52.66 109.53 0.41 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.858 0.361 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.8 tp -90.85 136.05 33.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.02 146.77 50.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.0 t -123.07 119.62 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.18 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -117.97 109.02 15.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 58.1 mt -115.66 133.84 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.0 p -137.48 170.2 16.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -103.54 173.77 6.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.845 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -44.4 -44.31 8.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -81.67 -24.53 36.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.11 42.54 1.51 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.1 mtmm -97.83 150.21 36.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.559 0.695 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 138.91 39.0 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.386 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -123.74 157.64 33.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -79.73 120.71 24.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -124.05 138.6 54.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.5 mt -106.35 148.77 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 p -117.76 125.77 74.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -117.49 130.63 56.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.814 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -102.4 121.58 42.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -101.83 -31.63 10.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt 57.77 29.86 18.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -124.57 28.9 6.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.44 24.1 57.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.6 p -150.86 177.92 9.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 111.151 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -151.74 131.26 13.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.15 147.53 32.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.541 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 48.1 t -141.95 117.24 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 17.4 m -98.48 144.29 27.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.572 ' CE1' ' HD3' ' A' ' 86' ' ' PRO . 5.5 p90 -150.56 136.84 18.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.9 mt -113.69 100.45 52.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.668 0.747 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.572 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 54.0 Cg_endo -69.73 105.75 1.53 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.358 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.07 -55.91 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.889 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -75.7 170.45 16.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 70.2 p -117.62 140.67 49.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.33 -129.18 3.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -112.38 148.53 34.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -129.12 139.95 51.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 50.8 ttm -115.45 117.4 30.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 48.1 mt -110.78 117.94 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -107.59 91.87 0.72 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.542 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 80.8 t -78.92 145.7 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.895 0.378 . . . . 0.0 111.14 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.2 p -144.32 146.06 32.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -132.58 114.2 13.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.14 45.49 80.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.535 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 62.78 35.42 91.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.536 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -143.82 147.52 34.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.81 133.07 43.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.4 pt -71.8 150.52 93.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.595 0.712 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 3.38 2.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.369 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.2 mt -99.16 -31.14 11.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.496 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.5 m -81.6 160.88 63.35 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.642 0.734 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.6 Cg_endo -69.72 -179.08 18.11 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.343 -0.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -119.57 130.21 55.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.0 mtp-105 -98.45 120.35 38.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.454 HG23 ' N ' ' A' ' 111' ' ' ARG . 39.2 mt -134.35 155.17 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.454 ' N ' HG23 ' A' ' 110' ' ' ILE . 16.2 mtp-105 -129.75 117.97 21.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -80.56 98.48 7.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 61.9 p -65.74 111.85 3.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -69.98 169.93 12.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 14.9 t -170.62 149.62 3.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -103.93 104.61 2.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.53 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -123.96 103.48 8.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -166.14 130.69 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.8 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.823 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 m -142.28 176.59 8.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -143.68 168.17 20.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.14 -148.81 0.11 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.1 p -154.76 114.96 3.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.867 0.365 . . . . 0.0 110.825 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -97.79 168.81 10.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.18 110.97 0.87 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -127.84 161.88 27.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.827 0.346 . . . . 0.0 110.907 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.437 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 1.8 m 64.01 54.86 1.6 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.646 0.736 . . . . 0.0 110.861 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 9' ' ' SER . 54.2 Cg_endo -69.68 164.79 33.13 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.708 2.272 . . . . 0.0 112.359 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.541 ' O ' ' CG ' ' A' ' 11' ' ' PHE . 20.9 p90 -69.75 105.81 2.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.422 ' HD2' ' C ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -148.75 179.83 7.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.0 t -58.54 134.65 23.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.13 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -102.92 114.84 29.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 m -128.79 139.08 52.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -51.44 139.39 27.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.611 0.72 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 158.48 56.8 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.66 2.24 . . . . 0.0 112.336 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.2 m -84.4 -27.82 27.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -69.44 156.93 38.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -151.22 122.92 8.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.24 -49.62 59.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -48.03 -30.59 4.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -85.55 29.56 0.68 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 69.0 t -116.01 129.82 71.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.4 p -140.21 140.75 35.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.448 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . . . -129.24 151.23 50.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -148.57 162.36 39.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 134.56 -173.03 21.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -35.62 12.16 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.245 . . . . 0.0 112.335 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.46 -30.31 49.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.435 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.448 ' CD1' ' HB2' ' A' ' 26' ' ' ALA . 5.5 mt -116.34 29.18 8.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.855 0.359 . . . . 0.0 110.935 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 t -65.81 116.54 7.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.1 p -61.03 -38.57 86.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -59.92 -34.0 72.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.87 158.53 7.57 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.1 m -116.72 150.86 46.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.716 . . . . 0.0 111.147 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 114.83 3.83 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.664 2.242 . . . . 0.0 112.344 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 39' ' ' SER . . . -57.79 164.94 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 38' ' ' ALA . 7.0 t 35.28 39.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.423 ' C ' HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -137.47 124.97 14.04 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.601 0.715 . . . . 0.0 110.938 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 96.55 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.7 2.266 . . . . 0.0 112.323 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.475 HG22 ' N ' ' A' ' 43' ' ' ASP . 7.2 p -107.91 140.93 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.143 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.475 ' N ' HG22 ' A' ' 42' ' ' VAL . 5.5 p-10 -131.45 152.07 51.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.441 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 12.7 p90 -117.83 -178.92 3.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.0 127.29 39.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.3 mt -97.44 103.63 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -95.97 118.94 33.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.448 ' CB ' ' HB3' ' A' ' 51' ' ' ALA . . . -112.6 125.59 54.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.402 ' CG ' ' H ' ' A' ' 50' ' ' ASP . 31.2 ptt180 -95.28 -55.46 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.402 ' H ' ' CG ' ' A' ' 49' ' ' ARG . 22.1 m-20 -122.18 32.19 5.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.448 ' HB3' ' CB ' ' A' ' 48' ' ' ALA . . . -95.33 -20.35 19.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.2 -142.25 42.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -119.61 137.5 53.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.907 0.384 . . . . 0.0 110.902 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.73 162.01 34.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.407 ' C ' HD21 ' A' ' 55' ' ' LEU . 4.7 tt -61.67 107.11 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.1 tp -87.63 134.82 33.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.2 128.34 39.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.1 t -97.09 131.69 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -134.15 117.13 16.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.2 mt -128.87 132.07 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.8 p -135.84 162.39 32.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -94.27 179.83 5.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -52.7 -39.84 62.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -82.84 -24.87 33.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.65 42.39 1.72 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -96.58 152.67 38.73 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.703 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 134.66 28.57 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.66 2.24 . . . . 0.0 112.336 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -126.82 131.67 51.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.2 ttm-85 -73.58 131.91 42.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.95 140.83 44.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.7 mt -84.4 149.51 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -122.89 114.78 43.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -102.46 126.02 49.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -102.3 109.49 21.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -90.77 -28.07 18.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? 58.32 30.12 19.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -124.05 28.63 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 93.32 -30.74 6.92 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.2 p -102.93 176.11 5.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 111.097 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -147.42 140.14 24.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.28 141.02 45.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.066 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.441 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 86.6 t -142.23 120.52 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 92.4 m -100.14 144.54 29.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -152.1 129.4 11.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.9 mt -103.6 106.06 50.37 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.662 0.744 . . . . 0.0 111.085 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 93.11 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.26 . . . . 0.0 112.357 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -78.78 -46.49 18.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -88.24 85.59 6.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 61.9 p -49.41 140.23 10.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 143.54 -128.44 3.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.446 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -99.41 141.37 32.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -133.37 134.96 44.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.447 ' CG ' ' HB2' ' A' ' 107' ' ' PRO . 34.4 ttm -120.9 111.64 17.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 27.4 mt -103.38 132.71 49.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.066 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -117.29 94.84 0.64 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.458 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 97' ' ' THR . 95.7 t -83.04 141.4 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 0.0 111.14 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.465 ' N ' HG12 ' A' ' 96' ' ' VAL . 24.9 p -138.92 147.24 42.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -136.81 112.95 9.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.99 44.89 59.57 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 61.84 32.98 83.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.452 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -151.41 117.25 5.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.65 143.29 49.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 21.4 pt -74.79 154.04 87.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.58 0.705 . . . . 0.0 111.183 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 6.36 1.35 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.0 mt -101.44 -26.34 13.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.512 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 2.1 p -83.91 155.27 64.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.653 0.74 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.76 -176.58 12.88 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.373 -0.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -117.71 133.41 55.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -95.6 117.29 30.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 38.9 mt -138.97 149.76 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -126.34 118.75 25.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -81.11 108.46 14.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.5 t -103.35 141.13 36.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -134.73 104.07 5.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 44.8 p -74.42 -45.17 48.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -112.97 -152.31 11.19 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -143.1 169.57 17.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 0.0 110.826 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -109.91 137.92 47.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.068 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 87.1 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.848 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -166.17 165.02 17.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.887 0.375 . . . . 0.0 110.839 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -168.94 170.47 9.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.12 172.26 35.8 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -157.66 165.63 34.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.0 p -148.69 169.51 20.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.84 -171.47 27.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 -147.61 159.2 44.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 m -123.27 121.81 26.92 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.703 0.763 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 176.99 5.99 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -53.56 175.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -72.46 96.4 1.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.411 ' CG2' HG11 ' A' ' 15' ' ' VAL . 13.4 p -173.53 126.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 3.6 mppt? -103.68 89.01 3.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.411 HG11 ' CG2' ' A' ' 13' ' ' VAL . 31.3 m -128.63 161.21 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.12 142.76 90.5 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.568 0.699 . . . . 0.0 110.946 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.564 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 53.9 Cg_endo -69.75 149.63 67.2 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.705 2.27 . . . . 0.0 112.342 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 87.1 m -65.57 -36.73 84.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.564 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 27.3 p90 -68.42 170.06 9.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -154.86 121.8 5.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.01 -49.77 41.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.8 m -48.31 -27.34 2.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.47 ' CE ' ' HB3' ' A' ' 50' ' ' ASP . 21.2 mmmt -88.8 26.97 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.457 ' CG2' ' HB2' ' A' ' 51' ' ' ALA . 79.0 t -119.74 124.87 73.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.8 p -141.01 163.33 33.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . . . -141.5 154.03 45.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -147.0 150.39 35.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.69 -173.76 23.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.45 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -36.79 10.05 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.251 . . . . 0.0 112.325 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.87 -33.73 43.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.424 ' CD1' ' HB2' ' A' ' 26' ' ' ALA . 6.6 mt -112.68 27.14 9.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.787 0.327 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.2 t -64.95 123.17 18.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 t -72.76 -35.4 67.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -61.38 -31.79 71.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.24 157.01 7.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.0 m -120.39 151.09 53.15 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 116.3 4.5 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.378 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.12 153.23 26.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.5 t 45.36 41.95 6.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.452 ' CD1' ' C ' ' A' ' 40' ' ' LEU . 1.7 tm? -139.68 126.79 12.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.632 0.73 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.43 ' HD2' ' CD2' ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.8 100.12 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.519 HG11 ' CE2' ' A' ' 84' ' ' TYR . 9.4 p -108.91 145.31 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.27 142.63 41.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.497 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 10.4 p90 -107.98 -178.8 3.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.35 131.93 50.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.3 mt -106.37 106.38 20.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -102.06 121.11 41.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.451 ' HB2' ' CB ' ' A' ' 51' ' ' ALA . . . -110.62 127.75 55.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -94.62 -56.46 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.47 ' HB3' ' CE ' ' A' ' 23' ' ' LYS . 6.6 t0 -122.11 18.86 10.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.457 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . . . -74.08 -28.49 61.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.072 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.33 -146.53 48.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -101.03 120.02 39.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.379 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.514 ' HA3' ' CE2' ' A' ' 98' ' ' TYR . . . -147.67 146.38 16.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 tp -58.41 106.59 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.1 tp -87.59 135.83 33.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.77 143.12 46.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.5 t -112.68 115.21 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.143 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -118.94 107.17 13.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.4 mt -117.94 129.76 73.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.14 154.53 50.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -83.91 -178.11 6.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -55.05 -39.23 68.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -86.34 -23.42 26.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.84 45.02 1.06 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.9 mtpt -97.95 150.81 37.14 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.556 0.693 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 135.78 31.37 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.697 2.264 . . . . 0.0 112.377 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.418 ' NZ ' ' HA ' ' A' ' 68' ' ' LYS . 1.4 mmmp? -124.08 129.96 51.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -61.72 116.98 5.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -119.15 133.47 55.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 72' ' ' VAL . 54.6 mt -93.24 146.68 6.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.418 ' N ' HG23 ' A' ' 71' ' ' ILE . 92.7 t -113.53 118.25 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -106.66 124.69 49.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -103.54 120.57 41.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -103.65 -34.41 8.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm 59.29 30.74 20.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -125.21 29.39 6.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.17 22.76 58.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.5 p -151.12 178.29 9.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.78 0.324 . . . . 0.0 111.165 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -152.1 139.72 19.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -119.83 143.69 47.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.497 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 61.1 t -138.24 129.13 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 87.4 m -109.45 142.59 40.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.175 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.54 ' CE1' ' HD3' ' A' ' 86' ' ' PRO . 4.4 p90 -148.94 137.82 21.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.1 mt -114.39 102.82 55.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.711 . . . . 0.0 111.143 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.54 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 54.2 Cg_endo -69.76 89.86 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.311 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.83 -54.42 45.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.13 138.91 32.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.4 p -75.31 171.03 14.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 124.95 -140.18 12.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -114.34 145.91 41.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.847 0.356 . . . . 0.0 110.847 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -125.73 139.72 53.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.949 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 44.0 ttm -115.82 106.92 14.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.437 HD11 ' CD1' ' A' ' 110' ' ' ILE . 48.7 mt -103.08 125.87 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.16 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -115.64 96.11 0.73 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.49 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 97' ' ' THR . 89.6 t -80.22 136.8 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 111.12 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.456 ' N ' HG13 ' A' ' 96' ' ' VAL . 35.9 p -133.03 143.6 49.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.514 ' CE2' ' HA3' ' A' ' 54' ' ' GLY . 4.5 t80 -131.9 115.24 15.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.64 42.89 87.05 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.27 33.07 86.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.437 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -148.54 118.31 7.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.751 0.31 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.99 141.14 57.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 29.6 pt -77.8 152.97 80.58 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.607 0.718 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 2.26 3.71 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.673 2.248 . . . . 0.0 112.297 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -96.74 -25.8 15.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.951 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.499 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.4 m -89.49 160.82 41.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.682 0.753 . . . . 0.0 110.816 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.76 179.91 20.97 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.356 -0.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -118.46 128.71 54.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -95.77 118.08 31.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.437 ' CD1' HD11 ' A' ' 94' ' ' ILE . 21.2 mt -134.42 148.86 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -127.4 128.77 46.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -86.78 105.02 16.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.6 t -89.98 137.92 31.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -123.29 156.83 34.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.952 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 53.0 p -127.47 143.82 51.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 97.29 156.98 30.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.535 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -104.8 174.58 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -134.8 148.7 50.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 36.7 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.74 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -174.94 177.95 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.92 0.391 . . . . 0.0 110.818 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.7 p -170.17 176.5 4.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.818 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.33 -170.62 28.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 p -160.87 176.1 11.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.856 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -156.38 156.89 34.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.72 -170.35 12.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.42 ' N ' ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -167.73 178.32 5.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.885 -179.862 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 t -157.4 132.74 5.63 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.65 0.738 . . . . 0.0 110.876 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -171.88 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -140.35 -179.5 6.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.75 38.0 3.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 14' ' ' LYS . 97.7 t -151.0 141.16 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.448 ' N ' HG13 ' A' ' 13' ' ' VAL . 14.5 tptp -137.85 113.0 9.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.1 m -127.8 171.43 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mp -51.23 143.44 17.41 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.629 0.728 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.467 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 54.0 Cg_endo -69.78 161.04 47.48 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.725 2.283 . . . . 0.0 112.33 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.0 m -89.47 -26.95 20.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.467 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 3.2 p90 -60.47 157.76 13.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -158.63 120.61 3.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.89 -47.56 65.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.1 p -49.45 -27.75 4.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -88.2 30.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -123.05 118.27 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.1 p -134.6 148.42 50.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.401 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . . . -133.72 149.49 51.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.09 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.2 m -147.76 153.3 39.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.74 -172.72 23.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -34.56 14.14 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.723 2.282 . . . . 0.0 112.316 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.66 -28.74 46.99 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.432 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.401 ' CD1' ' HB2' ' A' ' 26' ' ' ALA . 7.9 mt -115.58 26.0 10.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.935 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.1 t -68.01 112.65 5.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.1 p -59.72 -32.7 70.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -62.45 -28.16 69.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.62 159.31 9.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -120.0 151.81 53.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.624 0.726 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 117.58 5.17 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.25 . . . . 0.0 112.348 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 39' ' ' SER . . . -57.36 163.07 2.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' ALA . 9.9 m 35.55 42.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.416 ' C ' HD11 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -137.22 125.49 14.64 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.568 0.699 . . . . 0.0 110.942 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 99.33 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.694 2.262 . . . . 0.0 112.347 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.468 HG21 ' N ' ' A' ' 43' ' ' ASP . 11.9 p -112.36 145.39 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.147 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.468 ' N ' HG21 ' A' ' 42' ' ' VAL . 12.2 p-10 -139.73 143.26 36.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.567 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 19.1 p90 -106.35 179.79 4.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.73 132.69 51.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 62.3 mt -100.92 111.16 29.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.71 111.66 23.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.447 ' CB ' ' HB1' ' A' ' 51' ' ' ALA . . . -115.36 125.16 52.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -95.07 -55.53 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -122.2 33.4 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.447 ' HB1' ' CB ' ' A' ' 48' ' ' ALA . . . -77.96 10.85 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.077 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 44.98 -143.45 2.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.443 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -127.18 106.99 9.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 110.856 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -142.68 171.02 24.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.444 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.8 tt -74.83 117.24 16.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 39.5 tp -97.94 142.29 29.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -158.48 142.74 15.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.432 HG21 ' N ' ' A' ' 59' ' ' GLN . 14.5 p -111.47 141.66 26.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.432 ' N ' HG21 ' A' ' 58' ' ' VAL . 23.6 tt0 -123.07 102.33 7.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.1 mt -103.82 136.0 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 p -142.09 165.95 26.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -96.0 174.65 6.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -47.63 -40.94 20.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -82.99 -25.75 31.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.28 39.37 1.66 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.3 mttp -86.9 152.17 53.24 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.575 0.702 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 129.18 17.16 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.703 2.269 . . . . 0.0 112.324 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -114.79 147.91 39.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -83.84 110.78 18.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -111.62 126.82 55.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 30.9 mt -89.99 145.34 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.1 p -113.93 125.71 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -110.85 138.33 47.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -115.33 116.85 28.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -102.64 -29.56 11.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? 59.73 30.0 19.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -125.82 30.74 5.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.841 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 77.67 26.9 59.97 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.9 p -152.64 173.46 15.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 111.145 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -150.52 139.57 21.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -119.67 146.13 45.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.046 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.567 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 89.9 t -135.2 123.97 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 81.9 m -104.11 138.39 40.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.45 ' CE1' ' HD3' ' A' ' 86' ' ' PRO . 2.0 p90 -150.9 140.34 21.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.4 mt -114.91 106.95 51.02 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.623 0.725 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.45 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 53.4 Cg_endo -69.74 107.44 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -83.06 -60.06 2.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -79.77 153.89 28.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 80.3 p -103.55 143.55 32.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.02 -128.5 2.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.411 ' N ' ' HD3' ' A' ' 91' ' ' ARG . 1.5 mpp_? -114.21 132.58 56.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.782 0.325 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.04 130.97 57.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.446 ' CE ' ' HB2' ' A' ' 107' ' ' PRO . 2.8 tpt -112.6 119.24 37.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.44 ' CD1' HD12 ' A' ' 110' ' ' ILE . 39.8 mt -118.24 147.19 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.146 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -136.53 102.69 0.41 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.5 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.1 t -82.79 112.31 20.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.89 0.376 . . . . 0.0 111.102 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 33.2 p -108.66 135.23 50.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -124.99 120.55 31.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.7 47.69 83.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 60.5 36.57 91.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.461 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -153.24 117.39 4.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.37 146.26 40.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.6 pt -75.11 157.1 85.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.606 0.717 . . . . 0.0 111.145 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -2.31 9.96 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.337 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 19.3 mt -95.55 -38.93 10.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.524 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 12.1 p -65.8 155.18 87.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.681 0.753 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.72 -177.25 14.07 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.372 -0.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -118.36 124.8 48.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 18.3 ptt85 -87.55 122.83 31.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.816 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.44 HD12 ' CD1' ' A' ' 94' ' ' ILE . 10.8 mt -144.58 146.63 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.41 ' N ' HG21 ' A' ' 110' ' ' ILE . 9.7 ptm180 -141.96 125.74 17.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -80.67 123.63 28.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 75.9 p -92.11 85.86 5.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -83.12 115.22 21.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.1 t -123.79 128.04 48.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -101.93 105.18 2.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -128.7 42.03 3.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.796 0.332 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.55 102.26 3.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.8 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.82 -179.797 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 p -167.83 126.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.357 . . . . 0.0 110.886 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 m -71.72 -47.46 53.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.815 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.35 168.87 15.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.526 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -75.03 -52.02 12.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m 57.42 42.47 24.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.5 179.86 16.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.447 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -137.67 150.07 47.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.351 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.1 m -85.65 141.59 36.39 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.683 0.754 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 125.63 12.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.308 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -64.71 162.35 16.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -74.67 130.42 39.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.9 t -143.78 138.24 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.41 40.4 3.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.2 m -136.79 138.88 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -46.49 141.76 4.9 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.441 ' HB2' ' CD1' ' A' ' 19' ' ' TYR . 53.8 Cg_endo -69.81 159.74 52.27 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.7 2.266 . . . . 0.0 112.333 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.6 m -82.78 -27.07 31.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.441 ' CD1' ' HB2' ' A' ' 17' ' ' PRO . 5.5 p90 -73.92 160.11 31.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -151.37 107.44 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.839 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.416 ' C ' HG21 ' A' ' 103' ' ' ILE . . . -49.2 -53.92 19.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.099 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.3 m -47.59 -29.03 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -84.34 28.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.3 t -118.12 120.89 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.148 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.1 p -130.38 144.26 51.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.443 ' HB1' ' CD1' ' A' ' 31' ' ' LEU . . . -125.7 149.72 48.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.9 p -140.57 170.75 15.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 128.52 179.35 15.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -38.47 7.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.306 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.28 -35.04 49.14 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 32' ' ' SER . 33.0 mt -85.56 -18.54 33.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 31' ' ' LEU . 41.8 t -34.09 117.64 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.7 p -74.33 -29.29 61.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -61.17 -31.18 70.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.75 152.45 5.95 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.5 m -117.76 151.92 49.24 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.602 0.715 . . . . 0.0 111.163 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 114.72 3.8 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.676 2.25 . . . . 0.0 112.348 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 39' ' ' SER . . . -59.57 173.31 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 38' ' ' ALA . 2.8 m 34.82 41.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.468 HD13 ' N ' ' A' ' 41' ' ' PRO . 1.7 tm? -144.68 124.97 7.38 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.639 0.733 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.468 ' N ' HD13 ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.78 99.31 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.32 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.2 p -103.6 139.52 24.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -132.39 135.41 46.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.443 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 21.8 p90 -103.41 179.25 4.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.27 126.23 36.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.5 mt -96.93 112.2 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.94 118.55 36.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -109.85 125.66 53.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -95.15 -56.37 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -120.65 26.75 8.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.77 -23.84 29.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.93 -142.45 38.04 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -116.96 129.68 56.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.93 161.64 32.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.5 tp -56.72 107.63 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.0 tp -97.27 128.2 43.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -130.24 157.5 42.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.9 t -132.31 98.78 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -102.36 108.15 19.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 70.2 mt -109.46 123.42 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.1 p -124.11 162.32 23.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -104.92 -176.0 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -36.83 51.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -79.3 -25.14 42.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.08 31.91 7.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -96.96 153.79 38.44 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.559 0.695 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 132.58 23.62 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.2 mmmm -114.82 150.9 34.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -76.98 122.13 24.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.838 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.06 149.83 50.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.3 mt -105.32 140.46 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 89.8 t -116.64 106.69 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -90.46 143.28 26.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -109.37 119.26 38.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -102.56 -28.93 11.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.99 33.43 21.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -126.04 28.42 6.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.36 5.82 89.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.8 p -129.82 176.29 8.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.729 0.299 . . . . 0.0 111.19 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -151.87 134.15 15.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.49 142.12 42.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.443 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 85.1 t -135.75 115.02 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.7 m -92.74 137.87 31.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 1.7 p90 -150.13 132.65 15.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.404 ' CG1' ' HB3' ' A' ' 41' ' ' PRO . 26.3 mt -105.03 112.45 65.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.718 . . . . 0.0 111.158 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 81.82 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.662 2.241 . . . . 0.0 112.373 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.07 -47.71 79.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -87.37 173.17 9.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.2 p -128.32 129.46 46.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.121 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 156.42 -121.52 1.09 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.437 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -112.22 127.49 55.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -111.97 125.82 54.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 33.6 tpp -111.53 131.08 55.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 76.8 mt -122.67 115.09 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.58 91.43 1.05 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 88.1 t -84.99 117.92 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 111.105 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 70.5 p -115.39 148.91 38.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -139.66 109.15 6.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.41 ' HA3' ' CE2' ' A' ' 19' ' ' TYR . . . 72.2 44.32 44.36 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 61.93 30.35 75.08 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.457 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -152.87 117.97 5.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.821 0.343 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.01 143.97 45.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.416 HG21 ' C ' ' A' ' 21' ' ' ALA . 5.3 pt -70.18 157.2 90.45 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.707 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 4.65 2.07 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.733 2.289 . . . . 0.0 112.321 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 73.3 mt -118.89 4.95 11.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.522 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 70.6 p -111.4 152.89 44.22 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.75 -176.07 11.98 Favored 'Cis proline' 0 C--O 1.232 0.179 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.331 -0.048 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -114.58 130.82 56.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 27.1 ptt-85 -87.95 132.73 34.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 6.8 mt -153.58 150.34 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -142.63 140.61 31.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -77.84 142.67 38.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 75.6 p -71.33 -37.66 71.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.438 ' CD ' ' O ' ' A' ' 114' ' ' GLN . 0.1 OUTLIER 57.83 40.41 26.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 72.0 p -87.7 157.86 18.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 137.45 144.88 4.83 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.446 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.35 134.79 44.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.34 111.16 17.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 89.0 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.799 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -132.31 128.18 37.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.871 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.5 p -78.34 176.25 9.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.75 -147.17 7.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 m -157.5 178.44 10.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 p -131.61 -179.87 5.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.83 -160.75 9.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.5 ptt85 -175.0 167.38 3.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.6 p -135.71 135.76 22.46 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.643 0.735 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.536 ' O ' ' CG ' ' A' ' 11' ' ' PHE . 53.5 Cg_endo -69.77 -169.27 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 2.244 . . . . 0.0 112.334 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.536 ' CG ' ' O ' ' A' ' 10' ' ' PRO . 67.7 m-85 -164.44 132.09 3.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -94.52 63.26 2.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 62.5 t -134.08 116.22 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -102.88 75.28 1.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.6 m -130.49 172.04 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -75.59 141.74 73.15 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.629 0.728 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.459 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 53.2 Cg_endo -69.78 163.19 39.21 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.3 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 89.3 m -92.96 -15.28 26.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.459 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 17.6 p90 -82.07 158.97 23.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.961 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -151.03 132.57 14.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.432 ' O ' ' CG2' ' A' ' 103' ' ' ILE . . . -79.55 -45.13 19.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.2 p -58.47 -21.0 50.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.463 ' HE2' ' CB ' ' A' ' 50' ' ' ASP . 11.7 mmmt -85.95 7.52 24.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.0 t -105.82 124.36 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.4 p -119.1 159.44 23.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.47 ' HB1' ' CD1' ' A' ' 31' ' ' LEU . . . -137.74 131.86 31.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.8 m -148.05 147.24 29.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.39 -174.2 24.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -34.36 14.6 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.667 2.245 . . . . 0.0 112.311 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.29 -30.0 60.8 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.47 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 14.9 mt -109.37 20.23 18.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.327 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 t -60.5 119.6 8.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 t -68.85 -32.36 71.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -61.04 -32.29 71.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.12 158.36 7.56 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.471 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.9 m -125.35 143.99 46.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 111.148 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 119.14 6.14 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.647 2.231 . . . . 0.0 112.374 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.55 164.49 7.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.4 m 44.76 29.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -127.35 124.28 23.59 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.634 0.73 . . . . 0.0 110.952 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 98.31 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.39 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.565 HG13 ' CE1' ' A' ' 84' ' ' TYR . 7.1 p -112.83 143.18 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.444 ' N ' HG22 ' A' ' 42' ' ' VAL . 5.7 p-10 -133.53 148.18 51.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.523 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 1.7 p90 -108.96 172.68 6.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -117.24 135.22 53.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.151 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.2 mt -117.36 98.43 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.36 113.79 25.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.3 125.6 49.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -95.15 -54.16 3.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.832 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.463 ' CB ' ' HE2' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -122.08 19.3 10.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.37 0.28 8.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 54.98 -135.31 47.13 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.514 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -130.15 129.71 43.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.907 0.385 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.43 -168.17 26.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 mp -96.83 140.54 31.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.2 tp -114.93 140.49 48.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.07 147.52 30.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.0 p -125.23 123.77 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.3 mp0 -111.84 108.8 18.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.3 mt -106.4 136.3 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.88 163.33 32.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -105.86 173.27 6.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -45.1 -29.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -91.36 -24.08 19.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.467 ' N ' ' OD1' ' A' ' 62' ' ' ASP . . . 96.26 48.35 2.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.505 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -95.23 151.19 38.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.646 0.736 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 130.04 18.71 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -122.88 144.55 49.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -90.81 140.04 30.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.79 133.82 36.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 44.3 mt -76.35 144.54 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.6 t -110.29 110.03 30.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.171 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -93.17 115.19 27.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.97 111.12 23.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 77' ' ' ASP . 3.4 m-80 -99.6 -12.46 20.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 75' ' ' ASN . 0.1 OUTLIER 31.2 38.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 75' ' ' ASN . 88.4 m-20 -126.02 2.21 7.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.76 8.19 11.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.446 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.2 p -144.69 176.86 9.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.798 0.332 . . . . 0.0 111.122 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -151.51 130.54 12.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -114.34 144.74 42.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.523 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 96.1 t -137.46 125.67 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.7 m -106.03 146.68 29.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.565 ' CE1' HG13 ' A' ' 42' ' ' VAL . 8.4 p90 -150.15 128.7 12.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.4 mt -106.24 96.33 13.2 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.571 0.701 . . . . 0.0 111.165 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.523 ' HD3' ' CD2' ' A' ' 84' ' ' TYR . 53.2 Cg_endo -69.75 118.7 5.84 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.254 . . . . 0.0 112.344 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -87.97 -63.5 1.29 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -81.45 106.9 13.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 58.5 p -61.09 135.04 57.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 154.44 -172.24 32.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -52.27 122.23 8.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -119.44 114.64 22.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.7 tpp -104.96 119.29 38.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.419 HD12 ' CD1' ' A' ' 110' ' ' ILE . 39.5 mt -109.8 130.28 63.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -115.37 99.0 0.87 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 71.5 t -85.45 127.91 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.388 . . . . 0.0 111.157 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.3 p -124.6 143.06 50.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -136.99 125.51 23.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.454 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . 56.14 33.32 60.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 74.74 26.33 67.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -141.82 127.23 18.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.349 . . . . 0.0 110.825 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.93 126.33 32.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.432 ' CG2' ' O ' ' A' ' 21' ' ' ALA . 12.1 pt -59.29 155.0 38.65 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.591 0.71 . . . . 0.0 111.172 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -1.54 8.68 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 93.6 mt -93.49 -26.47 17.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.507 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 2.7 p -85.16 154.24 60.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.698 0.761 . . . . 0.0 110.848 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.9 Cg_endo -69.79 -177.66 15.07 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.357 0.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -122.07 129.47 52.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.924 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -92.48 129.07 38.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.419 ' CD1' HD12 ' A' ' 94' ' ' ILE . 1.8 mt -149.08 149.68 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 43.4 mtt-85 -124.47 116.6 22.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -78.16 111.67 14.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.5 t -111.63 147.56 35.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.9 tm0? -128.74 98.52 5.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 39.8 m -129.69 132.19 46.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 117' ' ' ASP . . . -157.24 47.64 0.47 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.46 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 116' ' ' GLY . 0.4 OUTLIER 37.08 41.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.788 0.327 . . . . 0.0 110.861 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -90.85 -62.16 1.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.762 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 m -114.78 156.08 25.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.886 0.374 . . . . 0.0 110.848 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -163.05 173.46 13.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.59 -171.26 31.75 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p -171.75 176.26 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.915 0.388 . . . . 0.0 110.83 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 p -154.04 174.47 14.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.2 -172.25 28.28 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.5 mmm-85 -146.71 171.26 15.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.9 p -136.84 117.5 10.94 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.64 0.733 . . . . 0.0 110.862 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -172.52 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -163.52 116.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.405 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -146.81 -179.72 6.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.409 HG13 ' CG1' ' A' ' 15' ' ' VAL . 90.7 t -49.76 131.76 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -68.77 84.1 0.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.409 ' CG1' HG13 ' A' ' 13' ' ' VAL . 27.5 m -127.51 163.44 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.1 mt -49.85 143.95 10.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.546 0.689 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.409 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 53.5 Cg_endo -69.8 154.44 67.6 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.301 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.3 m -79.18 -29.6 43.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.434 ' CE1' ' HA3' ' A' ' 99' ' ' GLY . 3.6 p90 -70.17 155.86 40.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -160.28 119.64 2.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.8 -43.78 71.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.6 p -48.13 -29.68 3.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -90.62 28.4 1.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -117.97 128.6 75.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.9 p -139.67 156.05 47.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.401 ' HB1' ' CD1' ' A' ' 31' ' ' LEU . . . -139.64 145.83 38.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.5 m -146.88 143.04 28.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.13 -174.86 28.6 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -37.77 8.87 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.381 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.01 -31.22 39.58 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.401 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 8.1 mt -113.31 24.46 12.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.1 t -60.77 120.74 10.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.3 p -69.34 -35.63 76.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -59.25 -33.21 70.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.05 156.61 6.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.7 m -122.56 146.22 47.0 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.614 0.721 . . . . 0.0 111.147 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 117.52 5.13 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.633 2.222 . . . . 0.0 112.392 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.41 153.36 35.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 t 55.14 42.11 30.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.402 ' C ' HD12 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -143.49 124.69 8.15 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.584 0.707 . . . . 0.0 110.935 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 97.73 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.708 2.272 . . . . 0.0 112.308 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.526 HG11 ' CE2' ' A' ' 84' ' ' TYR . 11.4 p -112.02 151.67 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -140.53 159.48 42.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.464 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 13.6 p90 -125.44 179.54 5.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.69 130.31 48.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.9 mt -100.98 99.85 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -88.48 112.61 23.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.461 ' CB ' ' HB2' ' A' ' 51' ' ' ALA . . . -110.2 125.2 52.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -95.58 -56.86 2.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -122.42 29.69 6.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.461 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . . . -79.52 13.35 2.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 46.79 -128.69 11.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -144.3 112.11 6.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.909 0.385 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -144.66 167.88 26.98 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.8 tp -74.34 110.05 8.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.858 0.361 . . . . 0.0 110.931 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.6 tp -84.88 139.76 31.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.68 147.71 45.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.0 t -119.07 124.69 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -118.57 105.38 11.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.447 HG21 ' N ' ' A' ' 61' ' ' THR . 74.8 mt -110.61 137.49 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.447 ' N ' HG21 ' A' ' 60' ' ' ILE . 11.3 p -135.79 170.6 15.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.79 -176.56 2.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -52.3 -36.01 51.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -82.68 -25.74 32.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.45 38.16 4.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -100.91 155.27 36.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.565 0.698 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 135.15 29.67 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.329 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -119.06 152.56 36.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -80.31 126.82 31.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -134.55 139.99 45.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.3 mt -90.44 139.96 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.2 p -110.18 127.41 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -106.21 134.31 49.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -115.41 111.33 20.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -100.55 -28.7 12.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? 56.8 37.71 28.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -129.2 25.11 5.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 96.03 -22.3 40.33 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.2 p -113.78 174.89 5.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 111.178 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -151.96 137.55 17.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.75 148.67 32.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.128 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.464 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 64.4 t -143.85 126.84 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 31.3 m -103.05 143.32 32.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.598 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 9.2 p90 -149.28 127.59 12.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 54.6 mt -103.14 95.46 6.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.585 0.707 . . . . 0.0 111.127 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.598 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.8 Cg_endo -69.73 104.67 1.35 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -94.17 -50.6 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -75.82 103.94 6.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 81.2 p -64.79 150.43 47.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.89 -129.92 4.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -108.91 122.09 46.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -107.55 131.87 53.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 5.6 ttm -121.16 110.85 16.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.41 HD13 ' CD1' ' A' ' 110' ' ' ILE . 18.7 mt -107.46 120.7 59.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.152 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -112.28 102.8 1.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.2 t -84.89 137.87 20.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.869 0.366 . . . . 0.0 111.107 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.8 p -128.2 145.32 51.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -135.13 116.26 14.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.434 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . 58.05 49.36 75.93 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.547 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 60.94 32.1 78.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.514 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -151.11 119.03 6.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 102' ' ' ASP . 0.3 OUTLIER -76.61 146.81 37.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.8 pt -72.44 156.94 89.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.624 0.726 . . . . 0.0 111.095 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 3.9 2.52 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.673 2.248 . . . . 0.0 112.348 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -104.18 -23.31 13.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.526 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 4.5 p -80.19 153.81 74.54 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.709 0.766 . . . . 0.0 110.813 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 106' ' ' SER . 54.3 Cg_endo -69.65 -179.64 19.52 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.388 -0.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -117.84 112.6 20.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.929 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -85.03 132.75 34.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.41 ' CD1' HD13 ' A' ' 94' ' ' ILE . 6.8 mt -154.85 160.94 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.119 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -133.93 131.12 38.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -85.29 98.18 10.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 75.3 p -59.87 103.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -61.21 142.19 56.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 40.3 p -125.33 -57.31 1.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.174 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 161.47 152.85 6.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -158.31 136.93 11.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.823 0.344 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -168.18 176.43 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 87.5 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.776 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.5 p -115.66 -43.66 3.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 110.918 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m -63.55 135.08 56.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.67 54.42 0.3 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.535 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -142.48 135.58 28.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 110.85 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -153.94 164.71 37.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.34 156.97 22.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.5 mmm-85 -139.59 136.11 34.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.1 p -159.26 141.93 10.26 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.729 . . . . 0.0 110.903 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -172.29 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.716 2.277 . . . . 0.0 112.335 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -152.32 139.35 19.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.79 160.64 38.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.933 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 m -49.43 117.08 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.99 142.76 34.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' LEU . 31.0 m -88.75 168.81 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 15' ' ' VAL . 14.7 mt -34.91 144.92 0.2 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.574 0.702 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.553 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 54.2 Cg_endo -69.77 153.1 69.28 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.695 2.263 . . . . 0.0 112.354 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.3 m -72.67 -31.69 65.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.553 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 7.9 p90 -67.81 157.56 34.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -144.7 120.93 10.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.59 -51.16 37.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -49.36 -30.87 8.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.4 mmtm -83.91 33.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 54.5 t -117.12 123.77 72.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 p -140.19 144.4 36.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.187 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.457 ' HB3' ' CD1' ' A' ' 31' ' ' LEU . . . -126.19 153.91 43.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.8 m -145.17 149.68 35.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.77 -173.89 24.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -37.15 9.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.344 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.425 ' CA ' HG23 ' A' ' 42' ' ' VAL . . . -55.46 -26.68 45.63 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.471 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 26' ' ' ALA . 9.3 mt -118.25 25.1 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 110.941 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.4 t -69.66 120.02 14.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.2 t -61.42 -31.67 71.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -64.09 -22.5 66.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.8 158.76 10.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.5 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.8 m -118.02 150.12 46.77 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.662 0.744 . . . . 0.0 111.12 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 115.23 4.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.45 163.24 5.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 t 39.69 40.06 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.435 ' CD1' ' HD2' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -139.31 126.43 12.85 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.705 . . . . 0.0 110.923 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.435 ' HD2' ' CD1' ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.76 97.68 0.65 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.671 2.247 . . . . 0.0 112.367 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.535 HG12 ' CE2' ' A' ' 84' ' ' TYR . 12.0 p -109.27 143.96 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.41 ' N ' HG21 ' A' ' 42' ' ' VAL . 3.8 p30 -134.43 136.95 43.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.531 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 11.2 p90 -101.53 -179.28 3.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.85 133.73 52.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.078 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.4 mt -108.09 103.92 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -102.36 119.23 38.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -108.27 125.49 51.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 83.2 mtm-85 -94.35 -56.26 2.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -121.92 24.87 9.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.61 -14.7 34.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.26 -139.09 48.35 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -120.72 133.15 55.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.907 0.384 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.03 170.6 37.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 tp -65.27 108.81 2.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.851 0.357 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.9 tp -95.62 131.08 42.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.68 134.06 20.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 p -110.26 135.21 49.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -120.73 103.9 9.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.412 HG21 ' N ' ' A' ' 61' ' ' THR . 96.5 mt -96.54 133.74 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.412 ' N ' HG21 ' A' ' 60' ' ' ILE . 9.7 p -136.55 167.31 21.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.88 -175.61 2.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -54.18 -36.02 62.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -84.55 -22.8 29.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.64 44.61 3.12 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -92.35 148.45 36.52 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.503 0.668 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 127.87 15.2 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.71 2.274 . . . . 0.0 112.344 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -118.45 159.42 23.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.1 tpp85 -95.91 144.23 26.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.18 143.53 49.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.088 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 57.4 mt -96.27 133.4 37.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.1 p -104.64 126.37 59.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -117.76 128.14 54.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.813 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -98.78 125.7 44.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -108.29 -29.7 8.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.36 31.08 20.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -124.72 29.37 6.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.02 22.52 65.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.4 p -148.62 178.07 8.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 0.0 111.126 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -151.67 133.06 14.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.47 148.09 31.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.531 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 83.9 t -141.95 114.92 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 84' ' ' TYR . 77.6 m -93.19 143.16 26.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.535 ' CE2' HG12 ' A' ' 42' ' ' VAL . 1.7 p90 -152.55 130.29 11.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.409 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 40.4 mt -107.36 103.86 50.2 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.602 0.715 . . . . 0.0 111.139 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.511 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 53.5 Cg_endo -69.76 120.91 7.62 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.668 2.245 . . . . 0.0 112.345 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -100.41 -57.64 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -81.55 121.25 26.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 32.2 p -72.22 156.36 39.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 133.04 -145.87 17.83 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -96.88 128.4 43.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -109.7 135.21 51.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.449 ' CG ' ' HB2' ' A' ' 107' ' ' PRO . 3.6 ttm -119.74 111.82 18.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.431 HD11 ' CD1' ' A' ' 110' ' ' ILE . 26.0 mt -107.39 134.76 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -123.98 100.24 0.64 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.1 t -85.42 134.86 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.9 0.381 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.45 ' CG2' ' OD2' ' A' ' 102' ' ' ASP . 40.2 p -125.19 140.35 52.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -130.17 112.98 13.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.512 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . 66.27 47.96 67.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 59.22 32.24 71.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.475 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -153.35 118.14 5.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.329 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 102' ' ' ASP . 0.0 OUTLIER -78.37 155.23 30.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 21.6 pt -81.43 154.85 71.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.591 0.71 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 5.96 1.5 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.673 2.249 . . . . 0.0 112.298 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.9 mt -103.14 -26.55 12.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.522 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 8.2 p -77.16 155.36 82.32 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.674 0.75 . . . . 0.0 110.83 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 106' ' ' SER . 54.0 Cg_endo -69.78 -176.92 13.47 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.36 -0.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -114.54 119.93 38.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.46 132.38 34.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.431 ' CD1' HD11 ' A' ' 94' ' ' ILE . 22.1 mt -151.16 154.72 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.3 mtp-105 -127.99 121.89 30.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -81.12 103.54 11.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.3 p -76.25 111.07 11.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -81.09 137.56 35.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 15.2 m -127.58 111.33 13.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.93 -60.27 8.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.58 114.54 8.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.773 0.321 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -89.5 171.06 9.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.782 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 93.0 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.765 0.317 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -84.81 173.61 10.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.965 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -168.66 106.67 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.51 -45.96 69.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.0 p -48.22 -31.62 6.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.716 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 34.1 mmtm -89.76 30.47 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 76.4 t -115.98 130.25 71.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.1 p -138.85 158.7 43.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -139.15 146.68 40.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.062 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.6 m -147.96 151.06 35.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.78 -173.81 23.39 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -36.2 11.26 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.664 2.243 . . . . 0.0 112.328 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.5 -25.59 35.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.3 mt -120.2 23.22 11.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.809 0.338 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.3 t -64.84 126.18 27.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 80.1 p -74.17 -31.85 62.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.46 ' C ' ' CD1' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -60.36 -30.84 69.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.86 155.62 7.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.442 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -126.98 148.61 66.38 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.614 0.721 . . . . 0.0 111.129 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 124.33 11.0 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.654 2.236 . . . . 0.0 112.401 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.71 139.17 47.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.5 t 68.53 25.87 6.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -122.43 136.49 26.58 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.711 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 97.58 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.248 . . . . 0.0 112.336 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.747 HG13 ' CE2' ' A' ' 84' ' ' TYR . 13.7 p -110.93 146.49 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -142.79 142.94 31.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.58 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 19.6 p90 -108.01 175.5 5.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.96 138.31 54.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 29.6 mt -112.82 103.43 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.454 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.6 OUTLIER -101.42 115.92 31.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.762 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -106.78 125.63 51.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -95.15 -56.48 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -122.12 19.32 10.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.762 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -81.87 -18.47 43.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.88 -138.01 39.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -117.6 132.64 56.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.666 ' N ' ' CE2' ' A' ' 98' ' ' TYR . . . -160.38 138.64 5.63 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.529 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.1 tp -47.14 108.41 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.359 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.4 tp -87.24 144.41 26.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.48 140.3 20.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.2 p -123.58 140.43 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -133.97 104.4 6.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.2 mt -99.23 124.9 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.8 p -124.17 164.04 20.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.78 175.47 5.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -46.11 -33.29 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -86.75 -25.11 24.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.96 44.77 2.77 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -99.86 151.9 37.63 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.558 0.694 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 131.97 22.34 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.423 ' NZ ' ' OD2' ' A' ' 87' ' ' ASP . 17.2 mmtt -114.25 150.35 34.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -73.58 127.64 33.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -132.34 121.2 23.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.7 mt -90.2 146.91 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 p -111.19 122.75 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -111.76 123.63 50.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -102.04 123.62 46.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -106.57 -24.46 12.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.74 30.91 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -122.86 26.72 8.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.821 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 85.02 14.07 70.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.452 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.454 HG22 ' HA ' ' A' ' 47' ' ' ASP . 56.3 p -144.1 170.34 16.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 111.17 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -143.67 133.01 23.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.33 149.74 28.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.102 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.58 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 99.9 t -145.3 120.83 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 31.6 m -101.77 142.03 33.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.162 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.747 ' CE2' HG13 ' A' ' 42' ' ' VAL . 11.4 p90 -147.94 129.49 14.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.406 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 37.2 mt -105.71 96.25 12.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.59 0.71 . . . . 0.0 111.168 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.567 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 54.1 Cg_endo -69.71 97.32 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.256 . . . . 0.0 112.357 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.423 ' OD2' ' NZ ' ' A' ' 68' ' ' LYS . 2.8 m-20 -74.6 -61.18 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -86.13 97.87 10.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.472 ' OG1' ' N ' ' A' ' 90' ' ' GLY . 0.1 OUTLIER -49.12 172.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.472 ' N ' ' OG1' ' A' ' 89' ' ' THR . . . 126.5 -179.8 16.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -61.23 110.56 1.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -100.98 128.09 47.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 5.0 ttm -115.89 108.72 16.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 52.4 mt -97.79 129.44 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -115.41 91.68 0.56 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.497 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 97.1 t -79.19 145.25 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 111.175 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.581 HG22 ' HA ' ' A' ' 102' ' ' ASP . 27.6 p -145.55 147.11 31.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.666 ' CE2' ' N ' ' A' ' 54' ' ' GLY . 4.5 t80 -133.43 117.82 17.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.55 45.24 96.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.546 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.57 34.5 90.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -149.54 119.85 7.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.581 ' HA ' HG22 ' A' ' 97' ' ' THR . 2.9 p30 -74.8 141.49 44.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.566 HD12 ' HB2' ' A' ' 105' ' ' LEU . 20.3 pt -76.28 153.55 84.17 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.619 0.723 . . . . 0.0 111.114 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 1.28 4.59 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.322 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.566 ' HB2' HD12 ' A' ' 103' ' ' ILE . 66.7 mt -93.59 -33.84 13.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.51 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.5 m -81.41 160.8 64.05 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.69 0.757 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.76 179.95 20.9 Favored 'Cis proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.351 -0.016 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -120.87 132.68 55.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -100.75 120.74 40.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 15.7 mt -137.01 154.48 31.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.426 ' N ' ' HD2' ' A' ' 111' ' ' ARG . 4.8 mpt_? -123.99 121.76 36.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -82.91 108.23 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 69.2 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.4 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.79 0.329 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -67.04 145.92 54.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.09 110.03 4.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.796 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.524 ' HB2' ' HB3' ' A' ' 98' ' ' TYR . . . -62.18 -42.02 98.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.431 ' HA ' ' CD ' ' A' ' 104' ' ' PRO . 8.7 m -48.32 -29.36 3.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.472 ' CD ' ' HB3' ' A' ' 50' ' ' ASP . 37.3 mmtt -84.65 20.56 1.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 21' ' ' ALA . 95.9 t -114.79 124.07 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.6 p -134.9 149.99 50.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -134.57 151.44 51.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.4 m -148.35 156.56 42.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.15 -173.37 23.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.535 ' O ' HG12 ' A' ' 36' ' ' VAL . 53.8 Cg_endo -69.77 -36.31 11.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.08 -30.21 46.04 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.432 HD22 ' CD2' ' A' ' 108' ' ' TYR . 7.1 mt -114.31 26.16 10.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.7 t -63.96 119.77 10.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.6 p -65.19 -39.29 92.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -59.99 -32.66 71.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.919 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.63 155.9 6.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 29' ' ' PRO . 34.0 m -116.8 148.41 42.0 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.637 0.732 . . . . 0.0 111.155 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 116.2 4.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.646 2.231 . . . . 0.0 112.372 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.74 158.4 30.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.3 m 52.2 37.41 21.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.858 HD22 ' HD2' ' A' ' 41' ' ' PRO . 1.7 tm? -143.03 127.28 9.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.551 0.691 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.858 ' HD2' HD22 ' A' ' 40' ' ' LEU . 54.4 Cg_endo -69.75 98.48 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.264 . . . . 0.0 112.354 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.548 HG13 ' CE2' ' A' ' 84' ' ' TYR . 8.6 p -109.48 143.21 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -135.56 143.51 45.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -108.39 -179.45 3.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.06 127.31 37.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.6 mt -98.28 109.58 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -98.46 116.54 30.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.734 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -112.45 125.69 54.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -95.21 -56.33 2.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.472 ' HB3' ' CD ' ' A' ' 23' ' ' LYS . 3.1 t0 -122.1 29.83 6.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.734 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -79.12 12.31 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 45.37 -128.41 8.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -139.99 122.97 16.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -157.82 169.06 34.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.506 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.6 tp -78.65 115.17 18.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.3 tp -87.01 130.48 34.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.48 ' HB3' ' OG1' ' A' ' 97' ' ' THR . . . -122.25 136.15 54.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.053 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.4 HG21 HG21 ' A' ' 82' ' ' VAL . 97.5 t -114.02 123.28 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -123.32 111.75 16.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.687 HD12 ' HB2' ' A' ' 70' ' ' ALA . 71.7 mt -112.54 127.88 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.8 p -128.97 154.6 46.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -114.64 -175.76 2.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -51.0 -27.81 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -79.49 -25.64 41.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.98 12.47 65.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.463 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -95.48 152.96 39.6 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.59 0.709 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 126.11 12.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.265 . . . . 0.0 112.384 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -92.26 177.91 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -95.09 113.26 24.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.687 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -129.06 150.31 50.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.051 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.428 ' O ' HG13 ' A' ' 82' ' ' VAL . 26.3 mt -104.41 143.57 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 p -111.15 117.41 54.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 7.3 t-80 -103.0 122.26 44.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -101.37 112.39 24.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -92.76 -29.34 16.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm 57.46 27.4 13.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -122.13 23.41 9.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.12 -25.17 28.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.515 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.9 p -110.91 176.9 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.778 0.323 . . . . 0.0 111.155 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -149.0 143.74 26.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.517 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -121.37 135.52 55.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' ' 71' ' ' ILE . 61.7 t -132.93 126.02 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.0 m -103.32 139.87 38.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.569 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 7.8 p90 -150.07 127.13 11.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.6 mt -107.93 97.15 19.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.569 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.81 107.92 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.623 2.215 . . . . 0.0 112.346 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.66 -38.47 21.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -92.02 139.48 30.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.0 p -97.15 129.99 44.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 164.29 -125.55 1.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.514 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -110.61 134.72 52.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -124.78 130.43 52.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.8 ttm -119.48 120.63 37.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 18.8 mt -110.74 116.75 53.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -104.11 93.1 0.94 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.402 ' HB ' HD11 ' A' ' 103' ' ' ILE . 85.7 t -81.83 132.48 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.378 . . . . 0.0 111.158 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.48 ' OG1' ' HB3' ' A' ' 57' ' ' ALA . 34.4 p -128.33 148.85 50.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.524 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 4.8 t80 -134.45 118.1 17.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 59.3 42.39 97.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.466 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 67.87 30.98 74.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.19 117.21 7.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.403 ' HA ' HG22 ' A' ' 97' ' ' THR . 0.1 OUTLIER -68.88 132.7 47.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.484 HD12 ' HB2' ' A' ' 105' ' ' LEU . 12.8 pt -65.39 154.87 86.74 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.682 0.753 . . . . 0.0 111.081 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.431 ' CD ' ' HA ' ' A' ' 22' ' ' SER . 54.4 Cg_endo -69.74 2.94 3.07 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.713 2.276 . . . . 0.0 112.366 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.484 ' HB2' HD12 ' A' ' 103' ' ' ILE . 32.6 mt -100.2 -28.23 13.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.532 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 2.5 p -83.56 154.72 65.69 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.684 0.754 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.9 Cg_endo -69.77 -177.39 14.46 Favored 'Cis proline' 0 C--N 1.342 0.221 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.372 0.031 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.432 ' CD2' HD22 ' A' ' 31' ' ' LEU . 8.2 m-85 -123.21 125.67 45.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -93.1 123.43 36.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 111' ' ' ARG . 22.2 mt -142.57 157.31 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.443 ' N ' HG22 ' A' ' 110' ' ' ILE . 6.2 mpt_? -133.44 126.04 30.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -80.92 110.19 16.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.049 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 80.8 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.7 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.829 0.347 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -61.48 146.94 46.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -144.74 113.11 6.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.49 -46.48 83.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.063 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 m -49.21 -32.26 10.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.902 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.697 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 29.4 mmmt -87.98 33.59 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.0 t -125.8 113.4 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.654 HG22 HD11 ' A' ' 105' ' ' LEU . 64.2 p -124.95 164.14 20.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.53 149.59 39.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 m -147.04 148.76 31.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 144.59 -174.81 24.62 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.449 ' HG2' ' CG2' ' A' ' 42' ' ' VAL . 53.8 Cg_endo -69.74 -37.51 9.13 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.661 2.24 . . . . 0.0 112.374 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.87 -32.1 33.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 mt -109.29 24.9 12.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.82 0.343 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.9 t -63.45 117.52 6.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.0 p -64.32 -36.7 84.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -60.16 -34.19 73.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.41 158.5 8.09 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.55 HG21 ' OH ' ' A' ' 84' ' ' TYR . 32.5 m -118.64 148.53 44.45 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.719 . . . . 0.0 111.14 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 117.17 4.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.321 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.32 160.34 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.7 m 47.33 37.52 6.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.45 HD13 ' N ' ' A' ' 41' ' ' PRO . 0.7 OUTLIER -137.33 118.8 10.92 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.638 0.732 . . . . 0.0 110.898 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.45 ' N ' HD13 ' A' ' 40' ' ' LEU . 54.0 Cg_endo -69.72 97.17 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.376 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.503 HG13 ' CE2' ' A' ' 84' ' ' TYR . 11.4 p -106.85 143.32 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.5 p30 -133.28 145.42 50.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -110.25 -176.04 2.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.04 127.41 36.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.0 mt -97.85 103.28 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -92.97 118.88 31.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.691 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -110.97 124.63 52.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -96.33 -57.12 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.471 ' HB2' ' CE ' ' A' ' 23' ' ' LYS . 4.0 m-20 -122.66 25.61 8.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 23' ' ' LYS . . . -87.35 17.01 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.069 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.27 -131.05 2.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.557 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -137.39 127.92 26.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.953 0.406 . . . . 0.0 110.832 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.45 172.9 33.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.444 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.421 ' C ' HD23 ' A' ' 55' ' ' LEU . 6.7 tt -78.93 111.37 15.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.841 0.353 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 tp -89.04 143.6 26.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -127.03 155.34 43.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.056 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 99.7 t -124.75 117.32 49.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -120.57 111.06 17.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.617 HD12 ' HB2' ' A' ' 70' ' ' ALA . 65.6 mt -119.91 128.67 75.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.0 p -138.5 168.06 20.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.188 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.21 -176.74 2.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -51.29 -36.68 43.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -79.07 -24.29 43.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.34 32.46 7.76 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.538 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -93.55 155.37 40.75 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 147.69 63.32 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.73 2.287 . . . . 0.0 112.282 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -129.92 138.33 50.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -69.3 125.09 25.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.617 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -133.62 152.49 51.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.8 mt -110.26 145.4 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.159 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.0 p -109.93 111.16 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -97.19 111.15 23.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -98.93 126.77 44.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -107.42 -33.45 7.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.69 37.79 22.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -123.81 -13.92 7.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 138.3 -5.08 3.21 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.413 ' C ' ' CD1' ' A' ' 80' ' ' TYR . 24.5 p -137.84 176.3 8.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.769 0.319 . . . . 0.0 111.173 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 79' ' ' THR . 13.7 m-85 -145.92 144.83 30.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.977 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.35 148.85 44.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 84.5 t -143.79 114.14 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.6 m -90.28 145.53 24.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.552 ' CE1' ' HD3' ' A' ' 86' ' ' PRO . 2.3 p90 -151.55 128.21 10.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.4 ' CG1' ' HB3' ' A' ' 41' ' ' PRO . 27.7 mt -105.56 100.37 26.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.646 0.736 . . . . 0.0 111.107 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.552 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 54.1 Cg_endo -69.81 97.73 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -91.57 25.2 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -143.99 160.52 40.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 35.4 p -118.66 129.86 55.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 150.96 -121.62 1.25 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -117.35 129.78 56.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.799 0.333 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -112.56 114.79 27.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -100.25 126.42 46.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 72.0 mt -120.52 128.24 76.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -116.73 93.44 0.59 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.526 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.4 t -81.89 130.55 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.92 0.391 . . . . 0.0 111.12 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 21.2 p -126.54 145.37 50.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -130.85 118.28 20.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 58.06 49.11 78.22 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.531 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 60.6 36.92 92.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.474 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -154.06 118.43 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.353 . . . . 0.0 110.835 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -68.81 139.39 55.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.418 HD12 ' HB2' ' A' ' 105' ' ' LEU . 24.1 pt -71.64 151.91 93.59 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.674 0.75 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.41 2.81 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.654 HD11 HG22 ' A' ' 25' ' ' THR . 33.4 mt -99.24 -26.49 14.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.505 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.3 m -85.32 161.45 51.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.9 Cg_endo -69.75 -179.32 18.81 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.331 -0.052 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -121.43 130.36 53.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -97.15 122.32 40.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.508 HG22 ' N ' ' A' ' 111' ' ' ARG . 22.6 mt -143.18 161.42 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.508 ' N ' HG22 ' A' ' 110' ' ' ILE . 0.3 OUTLIER -148.01 145.74 28.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -91.3 138.88 31.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.088 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 73.1 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 -179.9 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.771 0.32 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.419 ' CE2' ' HA3' ' A' ' 99' ' ' GLY . 14.1 p90 -69.56 157.78 36.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -146.61 120.19 9.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.592 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -68.56 -44.8 73.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -52.55 -28.58 21.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.817 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -87.69 28.78 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 70.6 t -120.87 129.85 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.4 p -144.01 166.37 25.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.23 154.54 43.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.3 m -148.76 148.73 30.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.37 -173.45 24.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.631 ' O ' HG12 ' A' ' 36' ' ' VAL . 54.1 Cg_endo -69.69 -37.07 9.85 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.713 2.275 . . . . 0.0 112.35 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.81 -29.46 54.82 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 mt -117.35 25.42 10.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.953 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.3 t -67.63 109.77 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 t -52.84 -35.73 57.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -59.84 -32.98 71.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.955 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.31 157.88 7.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 29' ' ' PRO . 26.9 m -120.08 150.38 51.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 111.142 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 115.31 4.03 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.25 . . . . 0.0 112.336 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.58 163.37 5.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.093 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.3 t 41.1 42.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.812 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.684 HD13 ' HD2' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -143.67 124.56 7.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.575 0.702 . . . . 0.0 110.895 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.684 ' HD2' HD13 ' A' ' 40' ' ' LEU . 54.2 Cg_endo -69.71 97.81 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.375 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.682 HG13 ' CE2' ' A' ' 84' ' ' TYR . 9.2 p -107.03 148.07 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -138.06 139.32 39.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.568 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 8.1 p90 -107.35 -176.2 3.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.61 132.24 46.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.2 mt -107.68 110.23 31.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -107.1 120.43 42.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.824 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -108.91 125.69 52.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -94.96 -55.63 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -121.96 32.08 5.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.824 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -93.65 -21.48 19.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.9 -140.08 35.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -121.3 134.55 55.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -163.46 159.18 31.77 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.8 tp -59.25 106.62 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.374 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.3 tp -93.4 140.58 29.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.56 154.63 45.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.081 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.9 t -121.47 123.14 68.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -125.28 112.98 17.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.609 HD12 ' HB2' ' A' ' 70' ' ' ALA . 78.4 mt -116.77 140.91 37.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.0 p -137.61 171.71 14.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.03 -175.17 2.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -53.43 -37.68 62.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -81.33 -25.76 36.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.35 40.77 3.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.445 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -96.53 156.3 36.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.569 0.699 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 127.64 14.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.636 2.224 . . . . 0.0 112.354 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -115.98 141.04 48.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -76.64 132.36 39.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.609 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -133.86 149.23 51.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.9 mt -93.12 149.24 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.17 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.459 ' O ' HG13 ' A' ' 72' ' ' VAL . 14.4 p -124.64 125.08 69.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -116.01 136.2 53.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -111.11 121.62 45.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -103.63 -36.53 7.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? 64.77 36.38 8.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -131.74 30.6 4.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 80.09 22.47 63.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.511 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.3 p -148.6 176.19 10.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 111.085 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -152.04 136.38 16.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -113.38 143.25 44.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.568 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 69.3 t -141.47 127.58 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.7 m -109.38 145.88 35.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.682 ' CE2' HG13 ' A' ' 42' ' ' VAL . 9.2 p90 -151.43 134.26 15.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.417 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 43.1 mt -108.76 96.55 20.31 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.634 0.73 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.569 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.7 Cg_endo -69.75 91.14 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -93.84 33.33 1.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -153.8 127.96 9.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.1 p -78.94 129.83 34.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 153.07 -143.55 10.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -110.57 136.06 50.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.866 0.365 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -114.15 124.38 51.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -105.89 110.43 22.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 45.0 mt -103.17 124.54 57.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.16 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -110.34 91.56 0.63 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 98.3 t -79.01 130.97 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.946 0.403 . . . . 0.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 29.2 p -129.94 145.49 51.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -133.67 119.51 19.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.419 ' HA3' ' CE2' ' A' ' 19' ' ' TYR . . . 59.99 45.14 96.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 62.52 35.05 91.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -150.35 119.78 6.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -75.01 139.61 43.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 21' ' ' ALA . 23.2 pt -74.07 153.7 88.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.589 0.709 . . . . 0.0 111.161 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 3.07 2.97 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.516 ' HB2' HD12 ' A' ' 103' ' ' ILE . 4.2 mm? -95.95 -31.79 12.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.508 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.5 m -83.23 160.92 58.86 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.673 0.749 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 106' ' ' SER . 54.0 Cg_endo -69.78 170.82 56.71 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.322 0.025 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -110.33 127.69 55.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -97.57 120.37 37.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 30.6 mt -136.05 150.32 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -122.08 117.04 25.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.14 99.21 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 71.2 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 -179.865 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.7 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.793 0.33 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.482 ' CE2' ' HA3' ' A' ' 99' ' ' GLY . 29.5 p90 -77.72 165.17 24.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -149.74 126.86 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.57 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -74.44 -56.22 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.074 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.7 t -51.24 -22.44 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -83.15 20.04 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 68.0 t -116.05 126.85 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.1 p -132.73 132.35 42.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.57 145.25 41.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.2 m -147.53 152.11 37.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.75 -174.12 23.68 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.518 ' O ' HG12 ' A' ' 36' ' ' VAL . 54.0 Cg_endo -69.71 -34.58 14.46 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.661 2.241 . . . . 0.0 112.393 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.77 -19.42 58.45 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mt -121.13 24.47 10.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 0.0 110.937 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.2 t -71.1 111.42 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.7 p -57.26 -29.24 63.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -64.35 -32.61 74.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.9 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.7 157.85 7.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 29' ' ' PRO . 16.1 m -121.58 146.84 46.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.603 0.715 . . . . 0.0 111.123 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 120.24 7.06 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.715 2.277 . . . . 0.0 112.313 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 39' ' ' SER . . . -63.2 171.42 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' ALA . 51.9 m 36.21 37.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.8 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.716 HD22 ' HD2' ' A' ' 41' ' ' PRO . 1.5 tm? -137.69 123.77 13.05 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.63 0.728 . . . . 0.0 110.94 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.716 ' HD2' HD22 ' A' ' 40' ' ' LEU . 53.4 Cg_endo -69.77 98.01 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 p -109.36 144.96 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -138.96 139.21 37.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.442 ' HE2' HD11 ' A' ' 46' ' ' ILE . 30.9 p90 -104.79 -176.41 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.64 133.86 42.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.063 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.442 HD11 ' HE2' ' A' ' 44' ' ' PHE . 36.2 mt -108.42 106.72 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.91 120.08 39.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.972 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -115.06 125.69 53.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -95.05 -52.44 4.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -118.08 28.75 8.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.972 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -89.79 -20.7 23.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.12 -136.69 43.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -120.66 141.25 50.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.28 146.9 10.21 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.466 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 tt -51.55 105.99 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.943 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.9 tp -86.5 136.87 32.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.21 138.69 49.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.9 t -112.46 108.67 26.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -110.02 117.48 33.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.555 HD12 ' HB2' ' A' ' 70' ' ' ALA . 69.6 mt -124.56 130.21 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.9 p -136.19 153.76 51.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.1 p30 -114.62 -175.82 2.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.435 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -52.36 -25.83 10.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.435 ' N ' ' OE1' ' A' ' 63' ' ' GLN . 4.6 tp10 -82.45 -23.51 34.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.81 10.14 73.16 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.6 pttt -91.94 152.87 43.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.524 0.678 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 132.05 22.58 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.691 2.261 . . . . 0.0 112.37 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -104.19 150.04 24.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.2 ttm-85 -71.35 121.08 17.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.555 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -134.35 146.98 50.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.9 mt -98.39 141.52 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.6 p -106.06 119.93 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.862 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 1.8 t60 -99.9 123.38 44.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -114.79 111.4 21.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -92.41 -28.61 16.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? 53.65 32.02 13.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -122.91 -10.37 8.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 129.96 22.81 1.1 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.6 p -152.76 178.02 10.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 111.12 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -152.15 125.31 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.862 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -113.1 148.55 35.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 31.9 t -142.62 121.08 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.5 m -100.39 140.02 35.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -148.72 136.56 20.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.423 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 31.0 mt -108.66 104.45 54.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.585 0.707 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 85' ' ' ILE . 53.7 Cg_endo -69.79 88.14 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.56 -57.86 7.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.814 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -74.08 171.67 13.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 42.8 p -123.6 134.45 53.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.103 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 152.42 -121.71 1.21 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.428 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -114.6 141.11 48.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -125.0 127.47 47.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 50.6 ttm -110.64 126.4 54.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 51.8 mt -122.39 124.85 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -113.07 94.4 0.72 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.9 t -80.62 130.66 35.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 111.145 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.574 HG22 ' HB3' ' A' ' 102' ' ' ASP . 17.7 p -129.07 149.36 50.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -139.87 116.9 11.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.482 ' HA3' ' CE2' ' A' ' 19' ' ' TYR . . . 62.36 44.65 97.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.469 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 64.9 26.58 71.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -141.84 118.84 11.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.574 ' HB3' HG22 ' A' ' 97' ' ' THR . 1.1 p30 -81.93 130.44 35.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.57 HG22 ' O ' ' A' ' 21' ' ' ALA . 13.7 pt -59.56 153.29 51.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 111.162 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 3.01 3.02 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -97.08 -25.01 15.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.529 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 4.9 p -82.92 153.35 67.01 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.684 0.754 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.79 -176.94 13.53 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.317 0.056 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -119.83 131.98 55.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 29.9 mmm-85 -95.96 121.05 37.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.846 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.3 mt -139.68 151.71 22.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -130.11 131.14 45.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.69 119.97 29.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 80.6 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 -179.88 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.4 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.827 0.346 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.472 ' CE1' ' HA3' ' A' ' 99' ' ' GLY . 18.5 p90 -68.77 176.62 2.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -168.31 132.77 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.439 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -80.71 -45.8 16.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 82.4 p -49.32 -31.88 10.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -88.15 24.65 1.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.2 t -113.36 128.8 69.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.0 p -137.91 160.3 39.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.169 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.46 147.72 40.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.0 p -147.6 151.42 36.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.25 -178.17 21.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -34.93 13.51 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.735 2.29 . . . . 0.0 112.354 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.12 -31.84 56.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.0 mt -108.86 25.11 12.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.818 0.342 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.7 t -65.45 125.27 24.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.3 m -72.01 -35.41 69.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.824 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -61.29 -33.52 73.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.29 154.83 6.46 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.4 m -117.38 151.92 48.66 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.647 0.737 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 116.59 4.63 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.87 161.22 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.086 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t 38.93 45.81 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.729 HD13 ' HD2' ' A' ' 41' ' ' PRO . 0.4 OUTLIER -141.03 128.76 12.15 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.659 0.742 . . . . 0.0 110.927 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.729 ' HD2' HD13 ' A' ' 40' ' ' LEU . 54.1 Cg_endo -69.77 98.4 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.458 HG13 ' CE2' ' A' ' 84' ' ' TYR . 6.8 p -110.66 149.16 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -143.45 147.41 34.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.567 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 13.2 p90 -113.09 -179.84 3.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.57 133.89 50.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.057 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 30.5 mt -108.22 100.09 10.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -95.09 117.91 30.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.796 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -109.97 125.53 52.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -95.29 -55.77 2.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.15 32.27 5.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.796 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -95.63 -23.91 16.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.049 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.47 -140.23 33.28 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -122.46 132.47 54.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.51 173.93 34.28 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.429 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mt -67.01 99.37 0.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.1 tp -85.91 131.17 34.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.88 153.86 50.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.63 HG11 HG11 ' A' ' 82' ' ' VAL . 94.3 t -131.14 104.72 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -106.09 107.21 18.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.8 mt -111.12 131.22 62.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.1 p -136.8 168.98 18.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.0 -178.64 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -51.09 -38.34 51.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -81.79 -25.78 34.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.5 34.63 5.73 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -90.41 153.39 46.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 123.81 10.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.661 2.241 . . . . 0.0 112.351 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -105.79 159.09 16.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.2 ttm-85 -79.02 125.4 29.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.53 124.55 27.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.2 mt -100.19 147.59 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.4 p -115.66 125.74 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -112.46 134.09 54.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.1 117.94 35.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -101.49 -30.84 11.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.31 30.25 19.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -125.33 30.1 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.17 25.91 58.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.3 p -152.14 174.48 13.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.776 0.322 . . . . 0.0 111.162 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -152.06 134.33 15.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.93 145.84 38.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.062 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.63 HG11 HG11 ' A' ' 58' ' ' VAL . 59.9 t -139.39 117.3 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.6 m -98.69 144.16 28.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.571 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 7.0 p90 -150.19 132.67 15.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 62.3 mt -106.29 98.2 18.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.584 0.707 . . . . 0.0 111.16 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.571 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.82 98.44 0.69 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -62.73 -66.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -82.89 164.83 20.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.0 p -110.16 140.61 44.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 157.38 -143.65 9.77 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.3 mtt-85 -90.54 125.11 35.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.794 0.33 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -113.85 120.86 42.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 12.1 tpp -108.16 126.17 52.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 50.0 mt -121.86 141.14 43.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.155 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -123.08 96.59 0.55 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.0 t -84.47 118.58 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.955 0.407 . . . . 0.0 111.112 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.1 p -118.94 144.61 46.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -135.66 114.64 12.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.961 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.472 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . 63.32 46.69 92.26 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 59.99 32.92 76.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -148.2 117.38 6.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.02 139.19 39.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.505 HD12 ' HB2' ' A' ' 105' ' ' LEU . 9.3 pt -71.66 155.38 92.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.634 0.731 . . . . 0.0 111.097 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 2.74 3.24 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.67 2.247 . . . . 0.0 112.376 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.505 ' HB2' HD12 ' A' ' 103' ' ' ILE . 4.6 mm? -101.88 -29.82 11.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.539 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 2.9 p -78.49 154.53 79.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.682 0.753 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 106' ' ' SER . 54.1 Cg_endo -69.71 -177.25 14.07 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.368 -0.081 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.4 ' HE1' HD11 ' A' ' 103' ' ' ILE . 35.8 m-85 -115.79 125.78 53.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.944 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 44.5 mtt-85 -88.64 122.91 32.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.437 HG22 ' N ' ' A' ' 111' ' ' ARG . 19.8 mt -143.91 157.46 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.437 ' N ' HG22 ' A' ' 110' ' ' ILE . 7.6 ptm180 -144.65 130.76 19.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.08 117.07 26.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.905 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.3 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.782 0.325 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -65.43 147.5 53.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -148.11 108.69 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.512 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -58.4 -41.36 84.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.2 p -52.51 -27.59 17.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.515 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 70.8 mmtt -91.24 33.45 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.933 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.8 t -117.68 122.19 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.4 p -142.12 151.01 41.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.163 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -135.77 152.23 50.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.073 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.9 m -145.74 152.51 39.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.99 -173.15 23.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -35.61 12.4 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.722 2.281 . . . . 0.0 112.324 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.95 -25.27 45.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.7 mt -118.11 20.98 13.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.822 0.344 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.2 t -62.38 117.28 5.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.7 p -67.01 -32.42 73.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -62.69 -30.15 71.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.02 155.51 7.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.448 HG21 ' OH ' ' A' ' 84' ' ' TYR . 17.4 m -122.58 150.77 58.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.602 0.715 . . . . 0.0 111.136 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 114.85 3.84 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.94 166.26 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t 38.58 43.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.822 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.827 HD13 ' HD2' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -141.8 128.0 11.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 0.0 110.897 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.827 ' HD2' HD13 ' A' ' 40' ' ' LEU . 54.0 Cg_endo -69.79 97.42 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.635 2.223 . . . . 0.0 112.332 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.626 HG13 ' CE2' ' A' ' 84' ' ' TYR . 9.2 p -111.6 143.1 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.3 152.13 50.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -117.76 -176.38 3.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.46 127.71 35.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.051 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.3 mt -96.97 101.96 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -90.68 117.15 29.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.725 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -107.93 125.17 51.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -95.73 -57.23 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -122.81 26.2 8.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.725 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -83.57 17.25 2.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.85 -137.07 1.03 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -131.72 119.77 21.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.924 0.393 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -150.53 172.65 30.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.5 tp -76.28 110.89 11.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.884 0.373 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.6 tp -88.2 136.19 33.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.405 ' HB3' ' OG1' ' A' ' 97' ' ' THR . . . -128.21 143.36 51.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.596 HG21 HG21 ' A' ' 82' ' ' VAL . 89.6 t -121.47 142.01 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -142.65 124.03 14.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.645 HD12 ' HB2' ' A' ' 70' ' ' ALA . 93.4 mt -123.43 140.6 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.8 p -141.12 166.14 25.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.09 -176.13 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -54.33 -36.67 64.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -82.19 -25.68 34.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.56 33.31 5.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -96.82 153.24 38.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.64 0.733 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 127.65 14.93 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -113.58 139.96 48.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -55.73 117.38 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.645 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -126.75 129.65 48.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.059 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.7 mt -94.52 134.95 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 97.2 t -106.17 105.53 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.813 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 2.6 t-80 -83.98 133.06 34.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -112.41 117.57 32.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -103.0 -35.47 8.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm 60.56 29.44 19.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -126.65 32.2 5.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.09 24.24 57.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.1 p -152.64 172.52 16.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 111.115 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -150.21 140.4 22.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.813 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -121.82 145.42 48.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.596 HG21 HG21 ' A' ' 58' ' ' VAL . 58.1 t -142.13 124.64 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.7 m -105.1 144.84 31.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.626 ' CE2' HG13 ' A' ' 42' ' ' VAL . 7.8 p90 -148.67 138.88 22.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.433 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 19.5 mt -114.29 99.97 51.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.617 0.723 . . . . 0.0 111.125 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.564 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.75 93.43 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.679 2.252 . . . . 0.0 112.332 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -52.74 -62.22 1.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -95.68 175.4 6.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 46.3 p -106.37 167.19 10.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.171 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 133.92 -128.39 4.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.44 145.51 44.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 110.897 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -130.0 129.97 44.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.2 tpt -108.19 123.93 49.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 36.4 mt -122.63 125.83 73.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.49 105.84 1.59 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.453 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.8 t -94.0 129.44 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.382 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.47 HG22 ' HB3' ' A' ' 102' ' ' ASP . 27.7 p -124.63 143.05 50.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -130.57 126.3 36.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 52.49 43.32 58.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.446 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 64.15 32.4 84.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -148.23 117.46 6.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.827 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.47 ' HB3' HG22 ' A' ' 97' ' ' THR . 0.9 OUTLIER -78.24 141.27 38.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.512 HG22 ' O ' ' A' ' 21' ' ' ALA . 12.1 pt -71.51 155.08 93.03 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.721 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 3.2 2.93 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.655 2.236 . . . . 0.0 112.298 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.504 ' HB2' HD12 ' A' ' 103' ' ' ILE . 62.2 mt -104.29 -24.04 13.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.541 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 4.6 p -83.25 153.65 66.12 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.646 0.736 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.7 Cg_endo -69.73 179.4 22.35 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.346 -0.061 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.5 ' HE1' HD11 ' A' ' 103' ' ' ILE . 29.7 m-85 -109.92 138.38 46.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -101.92 127.79 48.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 15.3 mt -145.35 148.4 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 46.4 mtt85 -123.65 114.46 20.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.01 107.85 12.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 -179.905 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.2 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.772 0.32 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -63.72 151.83 40.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.959 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.08 119.34 8.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.638 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -64.04 -51.04 66.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.9 m -48.73 -29.69 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.586 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 43.7 mmtt -85.85 27.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.5 t -116.56 117.43 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.2 p -127.48 153.99 45.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.69 145.84 45.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 87.7 p -138.72 154.79 48.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.96 179.6 18.44 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 -33.33 17.03 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.276 . . . . 0.0 112.35 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.1 -35.08 67.94 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.0 mt -103.16 23.18 12.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.822 0.344 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.7 t -70.54 116.54 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.8 m -85.87 26.88 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -114.45 -34.13 5.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.27 125.29 1.67 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 111' ' ' ARG . 34.4 m -110.11 148.87 39.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.729 . . . . 0.0 111.102 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 122.26 8.94 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.345 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.439 ' CB ' HG22 ' A' ' 89' ' ' THR . . . -61.01 163.18 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.6 t 40.75 40.79 1.02 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.672 HD22 ' HD2' ' A' ' 41' ' ' PRO . 1.3 tm? -132.9 122.82 17.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.559 0.695 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.672 ' HD2' HD22 ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.72 98.05 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.542 HG13 ' CE2' ' A' ' 84' ' ' TYR . 5.4 p -110.18 149.78 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.07 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -143.0 141.26 31.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.522 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 7.6 p90 -104.62 -178.45 3.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.93 128.51 48.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.3 mt -101.63 104.15 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.173 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.86 120.7 41.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.727 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -109.27 125.29 52.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.053 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -95.56 -56.79 2.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -122.31 24.01 9.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.727 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -88.95 -5.34 58.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 46.85 -147.47 3.13 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -100.26 129.83 46.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.923 0.392 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.598 ' N ' ' CE2' ' A' ' 98' ' ' TYR . . . -158.77 144.6 10.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tt -52.06 111.34 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.6 tp -91.73 144.18 25.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.56 140.14 24.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.844 HG11 HG11 ' A' ' 82' ' ' VAL . 93.5 t -118.94 107.34 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -107.49 106.86 17.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.584 HD12 ' HB2' ' A' ' 70' ' ' ALA . 78.8 mt -108.96 131.72 58.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 p -131.98 169.49 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.05 -175.12 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -55.19 -36.1 65.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -83.16 -25.61 31.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.95 44.02 2.32 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.474 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.3 mmtm -103.25 157.52 33.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.607 0.718 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 132.84 24.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.682 2.254 . . . . 0.0 112.396 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -117.37 158.39 24.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -79.19 120.71 24.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.584 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -129.42 130.41 45.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.8 mt -94.68 142.46 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.1 t -112.53 119.59 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.412 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 2.8 t-80 -106.02 139.74 40.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -113.78 119.01 35.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -102.86 -30.06 11.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm 61.11 27.86 17.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -122.69 28.12 7.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.96 7.29 87.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.521 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.2 p -133.43 170.78 14.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.8 0.333 . . . . 0.0 111.164 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -149.13 136.78 20.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.412 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -113.76 143.64 44.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.844 HG11 HG11 ' A' ' 58' ' ' VAL . 50.6 t -135.06 119.79 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.8 m -100.21 142.28 31.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.566 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 10.0 p90 -150.38 136.79 18.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.8 mt -114.14 99.69 51.19 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.623 0.725 . . . . 0.0 111.135 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.566 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.1 Cg_endo -69.79 110.57 2.59 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.33 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -85.08 -58.47 2.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -85.39 90.77 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.439 HG22 ' CB ' ' A' ' 38' ' ' ALA . 64.1 p -46.82 149.83 0.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.427 ' H ' ' HB3' ' A' ' 112' ' ' ALA . . . 142.89 -146.29 16.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.524 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -78.71 136.75 37.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -132.34 112.5 12.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 38.2 ttm -102.95 131.27 50.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 55.1 mt -125.1 133.99 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -121.63 98.76 0.66 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.467 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.5 t -79.65 151.32 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.955 0.407 . . . . 0.0 111.119 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.8 p -148.52 146.64 28.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.598 ' CE2' ' N ' ' A' ' 54' ' ' GLY . 4.4 t80 -138.71 112.94 8.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 68.16 44.9 74.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.0 30.65 78.11 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.509 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -148.35 121.24 8.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.52 151.91 37.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.638 HG22 ' O ' ' A' ' 21' ' ' ALA . 4.6 pt -82.55 157.11 67.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.68 0.752 . . . . 0.0 111.075 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 4.07 2.4 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.722 2.281 . . . . 0.0 112.302 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.514 ' HB2' HD12 ' A' ' 103' ' ' ILE . 86.2 mt -99.52 -36.32 9.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.541 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 59.1 p -70.83 152.84 95.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.669 0.747 . . . . 0.0 110.846 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.2 Cg_endo -69.8 -176.37 12.57 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.297 0.071 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -121.9 131.44 54.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -94.09 123.61 37.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 13.0 mt -144.75 147.12 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.499 ' O ' HG22 ' A' ' 36' ' ' VAL . 32.9 mtt-85 -123.05 148.99 44.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.427 ' HB3' ' H ' ' A' ' 90' ' ' GLY . . . -114.81 109.51 18.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.9 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.104 -179.883 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 89.4 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.773 0.32 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.426 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 4.9 p90 -58.64 167.91 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -156.7 133.33 10.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.663 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -76.59 -44.83 32.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.07 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -57.52 -28.5 63.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.533 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 17.5 mmtp -84.46 28.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.8 t -120.87 127.7 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.4 p -136.05 142.81 44.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.17 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.451 ' HB1' HD11 ' A' ' 31' ' ' LEU . . . -119.56 142.58 48.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.9 m -145.19 133.97 22.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.79 -176.45 37.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.452 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -32.57 18.01 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.282 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.455 ' O ' HD13 ' A' ' 110' ' ' ILE . . . -59.47 -29.65 66.88 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.451 HD11 ' HB1' ' A' ' 26' ' ' ALA . 6.7 mt -106.88 27.81 8.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.2 t -73.99 116.26 14.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.9 p -83.62 13.32 4.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -101.25 -29.91 11.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.23 124.6 2.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.1 m -110.72 150.69 42.13 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.576 0.703 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 127.06 14.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.707 2.271 . . . . 0.0 112.356 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.3 142.95 45.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.5 m 63.32 30.04 15.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 40' ' ' LEU . 3.8 mm? -122.78 135.33 25.64 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.667 0.746 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 96.16 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.56 HG13 ' CE2' ' A' ' 84' ' ' TYR . 9.3 p -114.02 143.65 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -143.32 143.53 31.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.546 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 7.9 p90 -105.69 175.54 5.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.33 135.24 55.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.3 mt -110.22 111.36 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.18 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.68 120.97 43.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.76 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -109.86 125.53 52.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -95.32 -56.49 2.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.414 ' HB3' ' HZ3' ' A' ' 23' ' ' LYS . 3.0 t70 -115.27 -7.35 12.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.76 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -57.98 -16.91 14.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.48 -145.28 42.37 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -111.88 137.24 50.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.84 168.0 40.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.8 tp -65.1 105.61 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 110.895 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.9 tp -93.89 140.26 29.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -142.55 148.39 37.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.027 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.684 HG21 HG21 ' A' ' 82' ' ' VAL . 83.9 t -126.24 114.57 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -110.39 111.35 22.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 60.3 mt -112.01 132.76 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 p -136.59 162.16 33.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.29 -179.53 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -50.96 -41.56 59.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -86.63 -25.71 24.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.36 46.8 0.84 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -97.43 152.93 38.49 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.708 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 136.92 34.08 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.337 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.75 131.76 53.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.5 ttm-85 -60.46 122.93 15.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.07 135.7 52.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.054 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.6 mt -106.51 140.91 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 93.7 t -110.17 109.05 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -99.43 115.8 30.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.8 119.87 28.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -99.46 -32.72 10.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt 57.98 29.14 17.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -124.64 29.2 6.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.3 23.87 58.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 39.3 p -151.91 176.75 11.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 111.148 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -152.04 137.94 18.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -114.83 146.32 41.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.684 HG21 HG21 ' A' ' 58' ' ' VAL . 58.3 t -138.53 113.81 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.7 m -96.92 144.95 26.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.566 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 8.4 p90 -151.43 131.59 13.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 74.4 mt -109.24 99.02 34.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.579 0.704 . . . . 0.0 111.148 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.566 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.8 Cg_endo -69.8 98.24 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.636 2.224 . . . . 0.0 112.337 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -64.28 -60.3 3.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.8 mttp -81.31 174.11 11.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.3 p -116.1 142.32 46.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.87 178.58 21.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.49 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.3 ttp-105 -63.02 117.83 7.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -102.83 122.99 45.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 28.6 tpp -100.66 129.25 46.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 53.5 mt -126.81 131.77 70.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -121.07 100.97 0.77 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.4 t -86.8 139.72 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.4 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.8 p -131.79 146.13 51.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -130.36 120.57 24.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.9 46.11 84.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.1 34.72 90.72 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.443 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.41 118.64 5.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.852 0.358 . . . . 0.0 110.834 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.51 144.27 49.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.663 HG22 ' O ' ' A' ' 21' ' ' ALA . 18.8 pt -81.31 153.24 71.42 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.661 0.743 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 5.56 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.539 ' HB2' HD12 ' A' ' 103' ' ' ILE . 94.2 mt -99.81 -32.07 11.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.504 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.6 m -83.28 160.63 59.35 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.68 0.752 . . . . 0.0 110.843 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.7 Cg_endo -69.81 -179.04 18.15 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.341 0.05 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -120.91 130.0 53.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.82 131.79 43.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.455 HD13 ' O ' ' A' ' 30' ' ' GLY . 10.8 mt -147.2 149.3 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 -124.24 125.6 44.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.65 110.88 21.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.3 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 -179.91 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.8 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.813 0.34 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -67.8 148.42 51.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -148.78 110.83 4.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.712 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -64.63 -44.54 90.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.063 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.5 p -51.31 -33.04 27.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.571 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 8.9 mmmm -87.52 34.79 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.492 ' HB ' HG21 ' A' ' 103' ' ' ILE . 95.5 t -121.73 126.35 74.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.0 p -139.66 148.95 43.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.44 149.37 52.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.111 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.2 m -149.29 148.71 29.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.55 -173.76 24.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -35.73 12.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.721 2.28 . . . . 0.0 112.294 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.44 -29.74 39.63 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.524 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 mt -117.13 27.41 9.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.7 t -62.41 120.66 11.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.5 p -65.8 -36.83 84.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -60.21 -32.01 70.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 134.69 153.77 6.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.486 HG21 ' OH ' ' A' ' 84' ' ' TYR . 27.8 m -116.14 152.38 47.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.628 0.727 . . . . 0.0 111.141 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 127.81 15.09 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.235 . . . . 0.0 112.354 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.412 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -73.28 142.4 47.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.9 m 62.69 27.99 16.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.412 HD23 ' O ' ' A' ' 38' ' ' ALA . 3.9 mm? -124.69 132.07 24.24 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.574 0.702 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 98.49 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.652 2.234 . . . . 0.0 112.371 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.569 HG13 ' CE2' ' A' ' 84' ' ' TYR . 14.8 p -109.47 146.28 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -143.43 143.41 31.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.829 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.506 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 17.4 p90 -112.7 -177.32 3.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.37 127.44 29.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.099 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.5 mt -97.56 103.12 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.083 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -92.46 108.3 19.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.762 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -109.08 125.15 51.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -95.79 -55.8 2.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -121.76 31.36 6.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.762 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -82.45 12.37 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 47.17 -150.94 2.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -121.25 120.48 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.381 . . . . 0.0 110.931 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -149.06 176.74 27.69 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 tt -86.17 105.34 16.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.824 0.345 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.7 tp -76.08 130.47 38.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.477 ' HB3' ' OG1' ' A' ' 97' ' ' THR . . . -122.86 125.56 45.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.2 t -98.54 115.72 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -116.5 110.67 18.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 25.5 mt -121.55 122.17 66.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.184 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.5 p -128.49 156.01 43.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -114.68 -178.69 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -50.86 -22.8 2.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.426 ' HG2' ' CE ' ' A' ' 66' ' ' LYS . 3.3 tp10 -84.97 -25.86 27.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.65 12.84 63.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.426 ' CE ' ' HG2' ' A' ' 64' ' ' GLU . 13.1 ptpt -96.1 153.03 39.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 126.62 13.55 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.711 2.274 . . . . 0.0 112.326 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -97.88 153.82 18.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -66.35 120.6 13.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -130.95 152.41 50.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.6 mt -116.3 142.42 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 p -111.82 131.77 62.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.483 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 51.6 m-70 -120.64 126.15 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -102.78 120.09 39.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -96.89 -21.94 17.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.72 26.08 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -122.53 23.02 9.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 88.45 24.76 32.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.5 p -150.29 171.54 16.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 111.155 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -146.74 135.74 22.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.95 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.483 ' HB3' ' HB2' ' A' ' 73' ' ' HIS . . . -117.2 144.93 44.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.506 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 97.3 t -142.54 120.11 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.6 m -98.0 138.04 35.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.109 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.569 ' CE2' HG13 ' A' ' 42' ' ' VAL . 2.5 p90 -144.04 131.06 20.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 31.4 mt -109.98 103.18 52.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.64 0.733 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.519 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 53.3 Cg_endo -69.77 88.58 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.241 . . . . 0.0 112.342 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -65.71 -40.07 91.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -89.78 168.04 12.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 66.2 p -120.28 137.9 53.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.11 -125.34 2.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -110.98 141.72 44.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.359 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -126.56 125.18 41.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.531 ' HE2' ' HB2' ' A' ' 107' ' ' PRO . 2.3 tpt -104.99 122.21 45.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 77.2 mt -117.14 122.38 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -111.86 95.04 0.78 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.0 t -80.59 108.82 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.921 0.391 . . . . 0.0 111.131 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.477 ' OG1' ' HB3' ' A' ' 57' ' ' ALA . 40.9 p -107.61 142.62 37.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -132.36 118.89 19.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.11 47.6 79.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 60.73 35.87 90.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -152.52 117.34 5.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.489 ' N ' ' OD1' ' A' ' 102' ' ' ASP . 0.2 OUTLIER -77.45 137.79 38.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.712 HG22 ' O ' ' A' ' 21' ' ' ALA . 14.7 pt -70.69 154.52 94.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.565 0.698 . . . . 0.0 111.167 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 2.73 3.26 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.68 2.254 . . . . 0.0 112.396 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.427 ' HB2' HD12 ' A' ' 103' ' ' ILE . 4.2 mm? -102.32 -25.2 13.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.497 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.5 m -90.33 160.92 38.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.635 0.731 . . . . 0.0 110.85 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.531 ' HB2' ' HE2' ' A' ' 93' ' ' MET . 53.5 Cg_endo -69.7 -179.28 18.62 Favored 'Cis proline' 0 C--O 1.231 0.149 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.331 -0.086 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -117.41 132.58 56.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -96.25 126.31 41.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 40.8 mt -140.39 149.84 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -131.01 126.98 37.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -81.37 112.89 19.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 73.9 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 -179.93 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.1 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.798 0.332 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -69.11 147.59 51.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -147.18 114.36 6.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.836 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.16 -45.15 75.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.4 m -49.19 -32.83 11.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.568 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 67.6 mmtt -85.91 32.0 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.8 t -124.6 119.03 55.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.9 p -135.45 157.12 47.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.1 150.47 49.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.03 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.5 m -148.59 137.39 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.36 -173.78 31.4 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.444 ' HB2' HG21 ' A' ' 42' ' ' VAL . 53.4 Cg_endo -69.75 -33.68 16.15 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.658 2.239 . . . . 0.0 112.352 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.1 -32.18 56.62 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.0 mt -115.38 28.41 8.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 t -65.1 120.59 12.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.402 ' HB2' ' NH2' ' A' ' 109' ' ' ARG . 20.5 p -66.18 -36.99 84.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -59.41 -33.22 70.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.949 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.66 157.99 8.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.459 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.413 HG21 ' OH ' ' A' ' 84' ' ' TYR . 31.0 m -119.75 148.95 47.39 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.63 0.729 . . . . 0.0 111.104 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 122.3 8.99 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.715 2.277 . . . . 0.0 112.38 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.0 162.64 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.4 t 42.27 43.16 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.405 HD13 ' N ' ' A' ' 41' ' ' PRO . 0.6 OUTLIER -140.22 117.48 8.15 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.618 0.723 . . . . 0.0 110.914 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.405 ' N ' HD13 ' A' ' 40' ' ' LEU . 54.1 Cg_endo -69.74 98.1 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.712 2.275 . . . . 0.0 112.323 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.444 HG21 ' HB2' ' A' ' 29' ' ' PRO . 4.1 p -108.47 141.86 22.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -128.7 145.64 51.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.543 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 22.3 p90 -111.57 -174.89 2.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.39 125.35 24.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 34.4 mt -94.92 101.46 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.088 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.25 115.56 26.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.768 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -114.0 125.6 54.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 46.3 mtm180 -95.3 -56.61 2.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.15 29.89 6.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.768 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -81.24 14.77 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.08 -150.39 0.31 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.532 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -116.33 124.67 50.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.77 169.66 34.06 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 tt -80.81 106.27 12.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.972 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.425 HD12 ' HD1' ' A' ' 98' ' ' TYR . 6.1 tp -76.39 141.96 41.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.9 141.37 40.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.824 HG21 HG21 ' A' ' 82' ' ' VAL . 89.7 t -126.52 117.54 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -117.57 112.24 20.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.534 HD12 ' HB2' ' A' ' 70' ' ' ALA . 42.4 mt -110.32 140.97 27.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.3 p -141.91 173.17 11.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.169 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.82 -175.66 2.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -52.86 -38.7 61.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -80.38 -23.16 40.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.77 35.7 5.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.467 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -95.48 154.92 39.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.614 0.721 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 132.19 22.78 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -116.9 147.95 41.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -67.69 120.37 13.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.534 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -128.65 124.78 36.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.079 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.4 mt -87.3 145.03 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.9 p -109.69 125.8 66.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.461 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 12.4 t60 -111.88 132.05 54.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -113.14 121.07 43.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -107.19 -32.67 7.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? 61.38 34.85 18.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -128.71 25.91 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 86.02 9.25 77.54 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.0 p -135.83 174.46 10.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.813 0.339 . . . . 0.0 111.113 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -151.71 138.39 18.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.461 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -120.39 137.69 54.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.076 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.824 HG21 HG21 ' A' ' 58' ' ' VAL . 80.9 t -133.63 120.87 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 57.1 m -94.59 144.51 25.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.558 ' CE1' ' HD3' ' A' ' 86' ' ' PRO . 2.5 p90 -152.27 134.57 15.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.431 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 42.2 mt -111.1 102.72 53.56 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.649 0.738 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.558 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 53.9 Cg_endo -69.71 104.54 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -92.3 -52.08 4.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.01 93.62 6.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.8 p -48.18 160.93 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.91 -129.6 6.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.89 144.97 31.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.838 0.351 . . . . 0.0 110.82 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.52 ' CE2' ' HB3' ' A' ' 86' ' ' PRO . 22.8 m-85 -128.7 112.57 14.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.75 122.88 42.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.437 ' CD1' HD12 ' A' ' 110' ' ' ILE . 46.2 mt -114.4 122.9 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -110.28 89.38 0.55 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.8 t -80.11 120.15 30.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.888 0.375 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.5 p -117.46 140.96 48.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.425 ' HD1' HD12 ' A' ' 56' ' ' LEU . 5.7 t80 -126.44 127.73 45.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 49.12 45.16 33.85 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.443 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.35 33.41 87.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -148.02 117.25 6.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -66.44 132.72 48.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.6 pt -68.64 150.43 97.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.664 0.745 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 2.77 3.22 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.716 2.278 . . . . 0.0 112.375 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -101.22 -20.8 15.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.507 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.5 m -91.77 160.96 35.11 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.72 0.772 . . . . 0.0 110.836 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.9 Cg_endo -69.74 -179.12 18.25 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.333 -0.044 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -121.79 122.01 38.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.402 ' NH2' ' HB2' ' A' ' 33' ' ' SER . 0.1 OUTLIER -83.89 134.24 34.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.437 HD12 ' CD1' ' A' ' 94' ' ' ILE . 17.4 mt -152.43 147.02 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -132.18 128.77 38.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -82.11 119.94 24.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 67.6 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 -179.908 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.2 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.78 0.324 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -69.07 147.13 51.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -147.43 112.32 5.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.458 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -56.39 -49.12 75.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.477 ' HA ' ' CD ' ' A' ' 104' ' ' PRO . 2.8 m -48.07 -29.77 3.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.428 ' CD ' ' HB3' ' A' ' 50' ' ' ASP . 52.2 mmtt -84.31 26.1 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.5 t -120.54 129.25 75.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.9 p -135.99 156.0 49.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.454 ' HB1' HD11 ' A' ' 31' ' ' LEU . . . -138.28 141.4 39.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.094 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 m -143.11 150.95 40.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.75 -174.1 24.33 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -35.43 12.86 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.256 . . . . 0.0 112.354 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.91 -23.24 63.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.454 HD11 ' HB1' ' A' ' 26' ' ' ALA . 11.3 mt -117.27 23.21 11.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.8 t -65.64 119.66 11.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.7 p -63.63 -32.36 73.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -62.12 -27.53 69.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.43 158.36 9.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.604 HG11 ' OH ' ' A' ' 84' ' ' TYR . 29.6 m -119.86 147.9 45.26 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.606 0.717 . . . . 0.0 111.109 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 119.59 6.51 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.321 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 39' ' ' SER . . . -58.32 165.06 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 38' ' ' ALA . 53.8 m 37.28 38.98 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.579 HD13 ' N ' ' A' ' 41' ' ' PRO . 0.8 OUTLIER -132.66 119.39 16.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 110.911 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.579 ' N ' HD13 ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.77 96.35 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.723 2.282 . . . . 0.0 112.292 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.581 HG13 ' CE1' ' A' ' 84' ' ' TYR . 2.5 p -109.84 152.82 11.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -141.96 144.31 33.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.44 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 4.9 p90 -111.86 -178.33 3.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.61 131.92 52.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.439 ' CD1' HD21 ' A' ' 56' ' ' LEU . 14.4 mt -108.73 111.71 37.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -108.77 120.54 42.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.8 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -106.95 125.72 51.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -95.05 -56.3 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.428 ' HB3' ' CD ' ' A' ' 23' ' ' LYS . 7.5 t0 -122.01 25.81 8.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.8 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -82.13 16.5 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.105 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.38 -150.54 0.13 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -104.44 118.71 37.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.473 ' HA3' ' CE2' ' A' ' 98' ' ' TYR . . . -154.98 164.91 32.01 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 tt -90.28 122.75 33.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.439 HD21 ' CD1' ' A' ' 46' ' ' ILE . 7.9 tp -81.97 134.21 35.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -128.3 125.21 38.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.61 HG21 HG21 ' A' ' 82' ' ' VAL . 97.9 t -108.61 130.07 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -128.5 110.89 12.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.603 HD12 ' HB2' ' A' ' 70' ' ' ALA . 29.6 mt -110.3 135.61 48.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.5 p -137.0 163.92 29.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.86 -176.61 3.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -53.26 -38.76 63.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -80.49 -25.58 38.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.35 37.98 4.4 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -97.91 153.37 38.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.568 0.699 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 135.31 30.15 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -118.87 136.15 54.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -60.13 115.52 3.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.603 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -118.78 136.45 53.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 58.1 mt -96.88 136.76 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.1 t -110.13 106.77 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.164 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.855 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 7.0 t60 -86.67 129.9 34.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -109.45 115.69 30.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -103.28 -25.01 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 57.67 31.59 20.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -124.7 28.8 6.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 90.43 -29.8 6.44 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 50.5 p -98.37 176.5 5.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.752 0.31 . . . . 0.0 111.177 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -151.73 134.82 15.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.855 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -109.93 143.29 40.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.08 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.61 HG21 HG21 ' A' ' 58' ' ' VAL . 47.5 t -138.81 119.31 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.1 m -101.05 146.7 27.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.604 ' OH ' HG11 ' A' ' 36' ' ' VAL . 22.5 p90 -151.42 128.55 11.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.425 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 43.8 mt -103.33 96.54 8.56 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.669 0.747 . . . . 0.0 111.181 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 85' ' ' ILE . 53.6 Cg_endo -69.72 95.05 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.701 2.267 . . . . 0.0 112.369 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.17 -64.67 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -69.26 176.29 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 73.4 p -127.55 147.88 50.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 143.83 -136.5 6.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -100.48 127.82 46.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.407 ' HE2' ' HB2' ' A' ' 112' ' ' ALA . 32.0 m-85 -110.04 134.47 52.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 7.6 ttm -118.73 113.5 21.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.637 HD12 HD12 ' A' ' 110' ' ' ILE . 52.3 mt -112.34 120.06 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -107.21 92.31 0.76 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.5 t -82.23 134.17 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.936 0.398 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.686 HG22 ' HA ' ' A' ' 102' ' ' ASP . 25.6 p -135.98 147.89 48.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.473 ' CE2' ' HA3' ' A' ' 54' ' ' GLY . 23.5 t80 -132.81 122.81 25.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.67 39.47 97.95 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.447 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 66.54 30.05 75.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.499 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -144.39 120.34 10.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.686 ' HA ' HG22 ' A' ' 97' ' ' THR . 0.3 OUTLIER -73.58 145.27 45.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.755 HD11 ' HE2' ' A' ' 108' ' ' TYR . 7.0 pt -73.39 155.93 89.33 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.65 0.738 . . . . 0.0 111.119 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.477 ' CD ' ' HA ' ' A' ' 22' ' ' SER . 53.6 Cg_endo -69.76 3.03 3.0 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.702 2.268 . . . . 0.0 112.385 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.501 ' HB2' HD12 ' A' ' 103' ' ' ILE . 3.6 mm? -105.04 -29.26 10.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.545 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 72.5 p -68.33 152.45 96.55 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.677 0.751 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.4 Cg_endo -69.8 -176.67 13.08 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.293 0.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.755 ' HE2' HD11 ' A' ' 103' ' ' ILE . 28.8 m-85 -118.17 115.24 24.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -85.28 118.84 25.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.637 HD12 HD12 ' A' ' 94' ' ' ILE . 6.9 mt -144.15 152.17 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.082 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -124.95 154.27 41.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.407 ' HB2' ' HE2' ' A' ' 92' ' ' TYR . . . -108.51 100.1 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.072 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 63.3 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.899 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.1 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.779 0.323 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -65.85 159.38 25.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -150.03 110.94 4.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.625 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -59.49 -46.61 88.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.07 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.3 m -51.31 -31.29 21.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 59.0 mmtt -85.39 28.35 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -115.6 126.64 73.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.8 p -131.42 159.0 39.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.91 147.94 42.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.094 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.8 m -147.27 149.65 33.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.77 -174.7 23.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -37.47 9.21 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.88 -34.74 38.25 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.527 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 mt -111.14 24.52 12.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.4 t -61.22 120.7 10.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.6 t -64.35 -38.16 90.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -59.14 -33.75 71.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.943 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.34 158.51 8.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.455 HG21 ' OH ' ' A' ' 84' ' ' TYR . 35.2 m -117.7 149.08 44.43 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.58 0.705 . . . . 0.0 111.131 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 119.65 6.56 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.84 162.34 2.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.086 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 t 42.08 43.23 2.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.638 HD13 ' HD2' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -141.76 123.26 8.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.567 0.699 . . . . 0.0 110.946 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.638 ' HD2' HD13 ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.75 102.69 1.05 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.738 2.292 . . . . 0.0 112.337 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.581 HG13 ' CE2' ' A' ' 84' ' ' TYR . 9.7 p -114.08 142.96 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -135.2 148.33 49.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 13.0 p90 -112.19 -177.6 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.6 123.63 29.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.6 mt -95.61 101.96 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.6 118.56 33.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.798 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -111.28 125.66 54.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.075 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -95.17 -55.95 2.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -122.1 32.17 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.798 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -93.66 -21.07 19.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.19 -144.12 44.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.435 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -117.64 143.69 45.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.929 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -173.61 154.36 19.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.2 tp -52.66 109.53 0.41 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.858 0.361 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.8 tp -90.85 136.05 33.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.02 146.77 50.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.0 t -123.07 119.62 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.18 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -117.97 109.02 15.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.676 HD12 ' HB2' ' A' ' 70' ' ' ALA . 58.1 mt -115.66 133.84 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.0 p -137.48 170.2 16.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -103.54 173.77 6.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.845 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -44.4 -44.31 8.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -81.67 -24.53 36.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.11 42.54 1.51 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.1 mtmm -97.83 150.21 36.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.559 0.695 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 138.91 39.0 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.386 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -123.74 157.64 33.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -79.73 120.71 24.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.676 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -124.05 138.6 54.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.5 mt -106.35 148.77 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 p -117.76 125.77 74.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -117.49 130.63 56.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.814 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -102.4 121.58 42.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -101.83 -31.63 10.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt 57.77 29.86 18.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -124.57 28.9 6.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.44 24.1 57.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.6 p -150.86 177.92 9.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 111.151 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -151.74 131.26 13.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.15 147.53 32.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.551 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 48.1 t -141.95 117.24 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 17.4 m -98.48 144.29 27.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.581 ' CE2' HG13 ' A' ' 42' ' ' VAL . 5.5 p90 -150.56 136.84 18.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.9 mt -113.69 100.45 52.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.668 0.747 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.563 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 54.0 Cg_endo -69.73 105.75 1.53 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.358 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.07 -55.91 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.889 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -75.7 170.45 16.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 70.2 p -117.62 140.67 49.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.33 -129.18 3.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -112.38 148.53 34.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -129.12 139.95 51.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 50.8 ttm -115.45 117.4 30.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 48.1 mt -110.78 117.94 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -107.59 91.87 0.72 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.542 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 80.8 t -78.92 145.7 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.895 0.378 . . . . 0.0 111.14 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.2 p -144.32 146.06 32.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -132.58 114.2 13.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.14 45.49 80.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.535 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 62.78 35.42 91.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.536 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -143.82 147.52 34.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.81 133.07 43.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.625 HG22 ' O ' ' A' ' 21' ' ' ALA . 14.4 pt -71.8 150.52 93.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.595 0.712 . . . . 0.0 111.131 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 3.38 2.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.369 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.453 ' HB2' HD12 ' A' ' 103' ' ' ILE . 15.2 mt -99.16 -31.14 11.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.507 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.5 m -81.6 160.88 63.35 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.642 0.734 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.6 Cg_endo -69.72 -179.08 18.11 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.343 -0.053 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -119.57 130.21 55.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.0 mtp-105 -98.45 120.35 38.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 111' ' ' ARG . 39.2 mt -134.35 155.17 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.426 ' N ' HG22 ' A' ' 110' ' ' ILE . 16.2 mtp-105 -129.75 117.97 21.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -80.56 98.48 7.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 61.9 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 -179.894 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.2 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.764 0.316 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -69.44 156.93 38.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -151.22 122.92 8.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.24 -49.62 59.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -48.03 -30.59 4.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.442 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 73.8 mmtt -85.55 29.56 0.68 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 69.0 t -116.01 129.82 71.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.4 p -140.21 140.75 35.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.24 151.23 50.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -148.57 162.36 39.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 134.56 -173.03 21.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -35.62 12.16 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.245 . . . . 0.0 112.335 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.46 -30.31 49.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.435 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 mt -116.34 29.18 8.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.855 0.359 . . . . 0.0 110.935 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 t -65.81 116.54 7.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.1 p -61.03 -38.57 86.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -59.92 -34.0 72.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.87 158.53 7.57 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.459 HG11 ' OH ' ' A' ' 84' ' ' TYR . 33.1 m -116.72 150.86 46.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.716 . . . . 0.0 111.147 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 114.83 3.83 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.664 2.242 . . . . 0.0 112.344 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 39' ' ' SER . . . -57.79 164.94 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 38' ' ' ALA . 7.0 t 35.28 39.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.703 HD13 ' HD2' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -137.47 124.97 14.04 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.601 0.715 . . . . 0.0 110.938 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.703 ' HD2' HD13 ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.75 96.55 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.7 2.266 . . . . 0.0 112.323 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.455 HG13 ' CE2' ' A' ' 84' ' ' TYR . 7.2 p -107.91 140.93 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.143 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -131.45 152.07 51.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.451 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 12.7 p90 -117.83 -178.92 3.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.0 127.29 39.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.3 mt -97.44 103.63 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -95.97 118.94 33.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.801 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -112.6 125.59 54.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -95.28 -55.46 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -122.18 32.19 5.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.801 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -95.33 -20.35 19.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.2 -142.25 42.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -119.61 137.5 53.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.907 0.384 . . . . 0.0 110.902 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.73 162.01 34.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.7 tt -61.67 107.11 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 97' ' ' THR . 50.1 tp -87.63 134.82 33.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.694 ' HB3' ' OG1' ' A' ' 97' ' ' THR . . . -131.2 128.34 39.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.1 t -97.09 131.69 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -134.15 117.13 16.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.706 HD12 ' HB2' ' A' ' 70' ' ' ALA . 47.2 mt -128.87 132.07 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.8 p -135.84 162.39 32.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -94.27 179.83 5.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -52.7 -39.84 62.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -82.84 -24.87 33.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.65 42.39 1.72 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -96.58 152.67 38.73 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.703 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 134.66 28.57 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.66 2.24 . . . . 0.0 112.336 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -126.82 131.67 51.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.2 ttm-85 -73.58 131.91 42.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.706 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -135.95 140.83 44.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.7 mt -84.4 149.51 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.516 ' O ' HG13 ' A' ' 72' ' ' VAL . 7.4 p -122.89 114.78 43.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.679 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 58.2 m-70 -102.46 126.02 49.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -102.3 109.49 21.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -90.77 -28.07 18.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? 58.32 30.12 19.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -124.05 28.63 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 93.32 -30.74 6.92 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.2 p -102.93 176.11 5.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 111.097 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -147.42 140.14 24.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.679 ' HB3' ' HB2' ' A' ' 73' ' ' HIS . . . -111.28 141.02 45.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.066 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.451 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 86.6 t -142.23 120.52 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 92.4 m -100.14 144.54 29.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.459 ' OH ' HG11 ' A' ' 36' ' ' VAL . 3.0 p90 -152.1 129.4 11.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.405 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 60.9 mt -103.6 106.06 50.37 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.662 0.744 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 85' ' ' ILE . 54.0 Cg_endo -69.73 93.11 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.26 . . . . 0.0 112.357 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -78.78 -46.49 18.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -88.24 85.59 6.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 61.9 p -49.41 140.23 10.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 143.54 -128.44 3.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.446 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -99.41 141.37 32.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -133.37 134.96 44.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.48 ' CG ' ' HB2' ' A' ' 107' ' ' PRO . 34.4 ttm -120.9 111.64 17.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 27.4 mt -103.38 132.71 49.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.066 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -117.29 94.84 0.64 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.458 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.7 t -83.04 141.4 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.694 ' OG1' ' HB3' ' A' ' 57' ' ' ALA . 24.9 p -138.92 147.24 42.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -136.81 112.95 9.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.99 44.89 59.57 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 61.84 32.98 83.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.452 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -151.41 117.25 5.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.527 ' CA ' HG22 ' A' ' 97' ' ' THR . 0.3 OUTLIER -71.65 143.29 49.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.461 HD12 HD12 ' A' ' 105' ' ' LEU . 21.4 pt -74.79 154.04 87.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.58 0.705 . . . . 0.0 111.183 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 6.36 1.35 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.461 HD12 HD12 ' A' ' 103' ' ' ILE . 21.0 mt -101.44 -26.34 13.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.523 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 2.1 p -83.91 155.27 64.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.653 0.74 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.76 -176.58 12.88 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.373 -0.064 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -117.71 133.41 55.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -95.6 117.29 30.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 38.9 mt -138.97 149.76 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -126.34 118.75 25.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -81.11 108.46 14.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.5 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 -179.867 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 87.1 m . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.798 0.333 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -68.42 170.06 9.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -154.86 121.8 5.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.01 -49.77 41.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.8 m -48.31 -27.34 2.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.492 ' CE ' ' HB3' ' A' ' 50' ' ' ASP . 21.2 mmmt -88.8 26.97 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 79.0 t -119.74 124.87 73.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.8 p -141.01 163.33 33.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.5 154.03 45.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -147.0 150.39 35.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.69 -173.76 23.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.45 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -36.79 10.05 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.251 . . . . 0.0 112.325 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.87 -33.73 43.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 mt -112.68 27.14 9.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.787 0.327 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.2 t -64.95 123.17 18.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 t -72.76 -35.4 67.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -61.38 -31.79 71.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.24 157.01 7.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.0 m -120.39 151.09 53.15 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 116.3 4.5 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.378 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.12 153.23 26.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.5 t 45.36 41.95 6.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.837 HD22 ' HD2' ' A' ' 41' ' ' PRO . 1.7 tm? -139.68 126.79 12.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.632 0.73 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.837 ' HD2' HD22 ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.8 100.12 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.519 HG13 ' CE2' ' A' ' 84' ' ' TYR . 9.4 p -108.91 145.31 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.27 142.63 41.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.508 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 10.4 p90 -107.98 -178.8 3.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.35 131.93 50.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.3 mt -106.37 106.38 20.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -102.06 121.11 41.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.856 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -110.62 127.75 55.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -94.62 -56.46 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.492 ' HB3' ' CE ' ' A' ' 23' ' ' LYS . 6.6 t0 -122.11 18.86 10.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.856 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -74.08 -28.49 61.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.072 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.33 -146.53 48.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -101.03 120.02 39.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.379 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.504 ' HA3' ' CE2' ' A' ' 98' ' ' TYR . . . -147.67 146.38 16.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 tp -58.41 106.59 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.1 tp -87.59 135.83 33.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.77 143.12 46.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.5 t -112.68 115.21 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.143 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -118.94 107.17 13.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.755 HD12 ' HB2' ' A' ' 70' ' ' ALA . 38.4 mt -117.94 129.76 73.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.14 154.53 50.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -83.91 -178.11 6.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -55.05 -39.23 68.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -86.34 -23.42 26.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.84 45.02 1.06 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.9 mtpt -97.95 150.81 37.14 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.556 0.693 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 135.78 31.37 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.697 2.264 . . . . 0.0 112.377 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.425 ' NZ ' ' HA ' ' A' ' 68' ' ' LYS . 1.4 mmmp? -124.08 129.96 51.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -61.72 116.98 5.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.755 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -119.15 133.47 55.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 54.6 mt -93.24 146.68 6.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.7 t -113.53 118.25 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -106.66 124.69 49.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -103.54 120.57 41.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -103.65 -34.41 8.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm 59.29 30.74 20.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -125.21 29.39 6.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.17 22.76 58.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.5 p -151.12 178.29 9.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.78 0.324 . . . . 0.0 111.165 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -152.1 139.72 19.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -119.83 143.69 47.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.508 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 61.1 t -138.24 129.13 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 87.4 m -109.45 142.59 40.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.175 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.531 ' CE1' ' HD3' ' A' ' 86' ' ' PRO . 4.4 p90 -148.94 137.82 21.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.1 mt -114.39 102.82 55.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.711 . . . . 0.0 111.143 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.531 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 54.2 Cg_endo -69.76 89.86 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.311 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.83 -54.42 45.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.13 138.91 32.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.4 p -75.31 171.03 14.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 124.95 -140.18 12.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -114.34 145.91 41.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.847 0.356 . . . . 0.0 110.847 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.404 ' CE2' ' HB3' ' A' ' 86' ' ' PRO . 32.9 m-85 -125.73 139.72 53.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.949 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 44.0 ttm -115.82 106.92 14.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 48.7 mt -103.08 125.87 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -115.64 96.11 0.73 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.49 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.6 t -80.22 136.8 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 111.12 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.548 HG22 ' HA ' ' A' ' 102' ' ' ASP . 35.9 p -133.03 143.6 49.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.504 ' CE2' ' HA3' ' A' ' 54' ' ' GLY . 4.5 t80 -131.9 115.24 15.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.64 42.89 87.05 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.27 33.07 86.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.437 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -148.54 118.31 7.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.751 0.31 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.548 ' HA ' HG22 ' A' ' 97' ' ' THR . 1.0 OUTLIER -66.99 141.14 57.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.431 HD12 ' HB2' ' A' ' 105' ' ' LEU . 29.6 pt -77.8 152.97 80.58 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.607 0.718 . . . . 0.0 111.151 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 2.26 3.71 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.673 2.248 . . . . 0.0 112.297 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.431 ' HB2' HD12 ' A' ' 103' ' ' ILE . 4.4 mm? -96.74 -25.8 15.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.951 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.511 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.4 m -89.49 160.82 41.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.682 0.753 . . . . 0.0 110.816 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.76 179.91 20.97 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.356 -0.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -118.46 128.71 54.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -95.77 118.08 31.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.2 mt -134.42 148.86 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -127.4 128.77 46.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -86.78 105.02 16.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 -179.881 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.807 0.337 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -60.47 157.76 13.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -158.63 120.61 3.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.89 -47.56 65.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.1 p -49.45 -27.75 4.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 37.5 mmtm -88.2 30.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -123.05 118.27 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.1 p -134.6 148.42 50.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -133.72 149.49 51.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.09 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.2 m -147.76 153.3 39.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.74 -172.72 23.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -34.56 14.14 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.723 2.282 . . . . 0.0 112.316 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.504 ' O ' HD13 ' A' ' 110' ' ' ILE . . . -54.66 -28.74 46.99 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.432 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mt -115.58 26.0 10.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.1 t -68.01 112.65 5.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.1 p -59.72 -32.7 70.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -62.45 -28.16 69.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.62 159.31 9.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -120.0 151.81 53.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.624 0.726 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 117.58 5.17 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.25 . . . . 0.0 112.348 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 39' ' ' SER . . . -57.36 163.07 2.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' ALA . 9.9 m 35.55 42.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.605 HD22 ' HD2' ' A' ' 41' ' ' PRO . 0.9 OUTLIER -137.22 125.49 14.64 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.568 0.699 . . . . 0.0 110.942 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.605 ' HD2' HD22 ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.74 99.33 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.694 2.262 . . . . 0.0 112.347 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 p -112.36 145.39 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -139.73 143.26 36.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.576 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 19.1 p90 -106.35 179.79 4.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.73 132.69 51.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 62.3 mt -100.92 111.16 29.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.71 111.66 23.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.631 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -115.36 125.16 52.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -95.07 -55.53 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -122.2 33.4 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.631 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -77.96 10.85 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.077 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 44.98 -143.45 2.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.443 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -127.18 106.99 9.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 110.856 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -142.68 171.02 24.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.444 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.432 ' C ' HD23 ' A' ' 55' ' ' LEU . 7.8 tt -74.83 117.24 16.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 39.5 tp -97.94 142.29 29.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -158.48 142.74 15.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.5 p -111.47 141.66 26.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -123.07 102.33 7.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.6 HD12 ' HB2' ' A' ' 70' ' ' ALA . 65.1 mt -103.82 136.0 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 p -142.09 165.95 26.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -96.0 174.65 6.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -47.63 -40.94 20.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -82.99 -25.75 31.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.28 39.37 1.66 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.3 mttp -86.9 152.17 53.24 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.575 0.702 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 129.18 17.16 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.703 2.269 . . . . 0.0 112.324 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -114.79 147.91 39.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -83.84 110.78 18.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.6 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -111.62 126.82 55.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 30.9 mt -89.99 145.34 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 72' ' ' VAL . 11.1 p -113.93 125.71 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 54.9 t-80 -110.85 138.33 47.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -115.33 116.85 28.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -102.64 -29.56 11.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? 59.73 30.0 19.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -125.82 30.74 5.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.841 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 77.67 26.9 59.97 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.9 p -152.64 173.46 15.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 111.145 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -150.52 139.57 21.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.475 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -119.67 146.13 45.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.046 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.576 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 89.9 t -135.2 123.97 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 81.9 m -104.11 138.39 40.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.433 ' CE1' ' HD3' ' A' ' 86' ' ' PRO . 2.0 p90 -150.9 140.34 21.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 60.4 mt -114.91 106.95 51.02 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.623 0.725 . . . . 0.0 111.115 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.433 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 53.4 Cg_endo -69.74 107.44 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -83.06 -60.06 2.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -79.77 153.89 28.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 80.3 p -103.55 143.55 32.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.02 -128.5 2.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.404 ' HD3' ' N ' ' A' ' 91' ' ' ARG . 1.5 mpp_? -114.21 132.58 56.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.782 0.325 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.04 130.97 57.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.458 ' CE ' ' HB2' ' A' ' 107' ' ' PRO . 2.8 tpt -112.6 119.24 37.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 39.8 mt -118.24 147.19 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.146 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -136.53 102.69 0.41 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.5 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.1 t -82.79 112.31 20.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.89 0.376 . . . . 0.0 111.102 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 33.2 p -108.66 135.23 50.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -124.99 120.55 31.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.7 47.69 83.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 60.5 36.57 91.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.461 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -153.24 117.39 4.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.37 146.26 40.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.496 HD12 ' HB2' ' A' ' 105' ' ' LEU . 3.6 pt -75.11 157.1 85.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.606 0.717 . . . . 0.0 111.145 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -2.31 9.96 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.337 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.496 ' HB2' HD12 ' A' ' 103' ' ' ILE . 19.3 mt -95.55 -38.93 10.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.535 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 12.1 p -65.8 155.18 87.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.681 0.753 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.72 -177.25 14.07 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.372 -0.064 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.469 ' HE1' HD11 ' A' ' 103' ' ' ILE . 48.2 m-85 -118.36 124.8 48.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 18.3 ptt85 -87.55 122.83 31.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.816 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.504 HD13 ' O ' ' A' ' 30' ' ' GLY . 10.8 mt -144.58 146.63 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -141.96 125.74 17.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -80.67 123.63 28.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 75.9 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.6 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.777 0.322 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.414 ' CE2' ' HA3' ' A' ' 99' ' ' GLY . 5.5 p90 -73.92 160.11 31.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -151.37 107.44 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.839 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.436 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -49.2 -53.92 19.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.099 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.3 m -47.59 -29.03 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.75 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 61.2 mmtt -84.34 28.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.3 t -118.12 120.89 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.148 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.1 p -130.38 144.26 51.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -125.7 149.72 48.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.9 p -140.57 170.75 15.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 128.52 179.35 15.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -38.47 7.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.306 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.424 ' O ' HD13 ' A' ' 110' ' ' ILE . . . -53.28 -35.04 49.14 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 32' ' ' SER . 33.0 mt -85.56 -18.54 33.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 31' ' ' LEU . 41.8 t -34.09 117.64 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.7 p -74.33 -29.29 61.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -61.17 -31.18 70.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.75 152.45 5.95 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.5 m -117.76 151.92 49.24 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.602 0.715 . . . . 0.0 111.163 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 114.72 3.8 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.676 2.25 . . . . 0.0 112.348 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 39' ' ' SER . . . -59.57 173.31 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 38' ' ' ALA . 2.8 m 34.82 41.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.804 HD22 ' HD2' ' A' ' 41' ' ' PRO . 1.7 tm? -144.68 124.97 7.38 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.639 0.733 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.804 ' HD2' HD22 ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.78 99.31 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.32 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.437 HG13 ' CE2' ' A' ' 84' ' ' TYR . 12.2 p -103.6 139.52 24.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -132.39 135.41 46.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.453 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 21.8 p90 -103.41 179.25 4.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.27 126.23 36.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.5 mt -96.93 112.2 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.434 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.7 OUTLIER -106.94 118.55 36.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.837 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.843 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -109.85 125.66 53.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -95.15 -56.37 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -120.65 26.75 8.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.843 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -84.77 -23.84 29.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.152 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.93 -142.45 38.04 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -116.96 129.68 56.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.93 161.64 32.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.5 tp -56.72 107.63 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.0 tp -97.27 128.2 43.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -130.24 157.5 42.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.959 HG11 HG11 ' A' ' 82' ' ' VAL . 98.9 t -132.31 98.78 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -102.36 108.15 19.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.665 HD12 ' HB2' ' A' ' 70' ' ' ALA . 70.2 mt -109.46 123.42 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.1 p -124.11 162.32 23.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -104.92 -176.0 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -36.83 51.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -79.3 -25.14 42.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.08 31.91 7.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -96.96 153.79 38.44 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.559 0.695 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 132.58 23.62 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.2 mmmm -114.82 150.9 34.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -76.98 122.13 24.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.838 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.665 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -129.06 149.83 50.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.3 mt -105.32 140.46 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 89.8 t -116.64 106.69 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -90.46 143.28 26.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -109.37 119.26 38.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -102.56 -28.93 11.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.99 33.43 21.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -126.04 28.42 6.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.36 5.82 89.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.434 HG22 ' HA ' ' A' ' 47' ' ' ASP . 23.8 p -129.82 176.29 8.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.729 0.299 . . . . 0.0 111.19 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -151.87 134.15 15.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.49 142.12 42.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.959 HG11 HG11 ' A' ' 58' ' ' VAL . 85.1 t -135.75 115.02 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.7 m -92.74 137.87 31.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.437 ' CE2' HG13 ' A' ' 42' ' ' VAL . 1.7 p90 -150.13 132.65 15.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.3 mt -105.03 112.45 65.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.718 . . . . 0.0 111.158 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 81.82 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.662 2.241 . . . . 0.0 112.373 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.07 -47.71 79.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -87.37 173.17 9.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.2 p -128.32 129.46 46.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.121 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 156.42 -121.52 1.09 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.437 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -112.22 127.49 55.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -111.97 125.82 54.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 33.6 tpp -111.53 131.08 55.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 76.8 mt -122.67 115.09 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.58 91.43 1.05 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 88.1 t -84.99 117.92 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 111.105 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.452 HG22 ' OD2' ' A' ' 102' ' ' ASP . 70.5 p -115.39 148.91 38.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -139.66 109.15 6.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.414 ' HA3' ' CE2' ' A' ' 19' ' ' TYR . . . 72.2 44.32 44.36 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 61.93 30.35 75.08 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.457 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -152.87 117.97 5.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.821 0.343 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.452 ' OD2' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.01 143.97 45.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.436 HG22 ' O ' ' A' ' 21' ' ' ALA . 5.3 pt -70.18 157.2 90.45 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.707 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 4.65 2.07 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.733 2.289 . . . . 0.0 112.321 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 73.3 mt -118.89 4.95 11.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.533 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 70.6 p -111.4 152.89 44.22 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.75 -176.07 11.98 Favored 'Cis proline' 0 C--O 1.232 0.179 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.331 -0.048 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -114.58 130.82 56.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 27.1 ptt-85 -87.95 132.73 34.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.424 HD13 ' O ' ' A' ' 30' ' ' GLY . 6.8 mt -153.58 150.34 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -142.63 140.61 31.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -77.84 142.67 38.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 75.6 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 -179.941 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.404 ' O ' HG22 ' A' ' 18' ' ' THR . 89.3 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.8 0.333 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.457 ' CE1' ' HA3' ' A' ' 99' ' ' GLY . 17.6 p90 -82.07 158.97 23.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.961 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -151.03 132.57 14.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.761 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -79.55 -45.13 19.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.2 p -58.47 -21.0 50.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HE2' ' CB ' ' A' ' 50' ' ' ASP . 11.7 mmmt -85.95 7.52 24.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.0 t -105.82 124.36 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.4 p -119.1 159.44 23.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.769 ' HB1' HD11 ' A' ' 31' ' ' LEU . . . -137.74 131.86 31.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.8 m -148.05 147.24 29.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.39 -174.2 24.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -34.36 14.6 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.667 2.245 . . . . 0.0 112.311 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.29 -30.0 60.8 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.769 HD11 ' HB1' ' A' ' 26' ' ' ALA . 14.9 mt -109.37 20.23 18.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.327 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 t -60.5 119.6 8.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 t -68.85 -32.36 71.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -61.04 -32.29 71.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.12 158.36 7.56 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.471 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.9 m -125.35 143.99 46.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 111.148 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 119.14 6.14 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.647 2.231 . . . . 0.0 112.374 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.592 ' HB2' HG22 ' A' ' 89' ' ' THR . . . -62.55 164.49 7.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.4 m 44.76 29.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.728 HD22 ' HD2' ' A' ' 41' ' ' PRO . 1.5 tm? -127.35 124.28 23.59 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.634 0.73 . . . . 0.0 110.952 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.728 ' HD2' HD22 ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.73 98.31 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.39 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.571 HG13 ' CE1' ' A' ' 84' ' ' TYR . 7.1 p -112.83 143.18 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -133.53 148.18 51.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.532 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 1.7 p90 -108.96 172.68 6.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -117.24 135.22 53.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.151 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.2 mt -117.36 98.43 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.36 113.79 25.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.871 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -102.3 125.6 49.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -95.15 -54.16 3.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.832 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.454 ' CB ' ' HE2' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -122.08 19.3 10.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.871 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -71.37 0.28 8.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 54.98 -135.31 47.13 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.514 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -130.15 129.71 43.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.907 0.385 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.43 -168.17 26.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 mp -96.83 140.54 31.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.2 tp -114.93 140.49 48.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.07 147.52 30.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 58' ' ' VAL . 8.0 p -125.23 123.77 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -111.84 108.8 18.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.539 HD12 ' HB2' ' A' ' 70' ' ' ALA . 22.3 mt -106.4 136.3 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.88 163.33 32.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -105.86 173.27 6.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -45.1 -29.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -91.36 -24.08 19.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.467 ' N ' ' OD1' ' A' ' 62' ' ' ASP . . . 96.26 48.35 2.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.505 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -95.23 151.19 38.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.646 0.736 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 130.04 18.71 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -122.88 144.55 49.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -90.81 140.04 30.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.539 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -136.79 133.82 36.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 44.3 mt -76.35 144.54 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.6 t -110.29 110.03 30.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.171 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.691 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 2.0 t-80 -93.17 115.19 27.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.97 111.12 23.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 77' ' ' ASP . 3.2 m120 -99.6 -12.46 20.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 75' ' ' ASN . 0.1 OUTLIER 31.2 38.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 75' ' ' ASN . 88.4 m-20 -126.02 2.21 7.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.76 8.19 11.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.446 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.2 p -144.69 176.86 9.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.798 0.332 . . . . 0.0 111.122 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -151.51 130.54 12.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.691 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -114.34 144.74 42.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.107 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.532 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 96.1 t -137.46 125.67 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.7 m -106.03 146.68 29.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.571 ' CE1' HG13 ' A' ' 42' ' ' VAL . 8.4 p90 -150.15 128.7 12.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.4 mt -106.24 96.33 13.2 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.571 0.701 . . . . 0.0 111.165 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.515 ' HD3' ' CD2' ' A' ' 84' ' ' TYR . 53.2 Cg_endo -69.75 118.7 5.84 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.254 . . . . 0.0 112.344 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -87.97 -63.5 1.29 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -81.45 106.9 13.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.592 HG22 ' HB2' ' A' ' 38' ' ' ALA . 58.5 p -61.09 135.04 57.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 154.44 -172.24 32.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -52.27 122.23 8.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -119.44 114.64 22.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.7 tpp -104.96 119.29 38.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 39.5 mt -109.8 130.28 63.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -115.37 99.0 0.87 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 71.5 t -85.45 127.91 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.388 . . . . 0.0 111.157 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.3 p -124.6 143.06 50.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -136.99 125.51 23.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.457 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . 56.14 33.32 60.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 74.74 26.33 67.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -141.82 127.23 18.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.349 . . . . 0.0 110.825 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.93 126.33 32.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.761 HG22 ' O ' ' A' ' 21' ' ' ALA . 12.1 pt -59.29 155.0 38.65 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.591 0.71 . . . . 0.0 111.172 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -1.54 8.68 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.499 ' HB2' HD12 ' A' ' 103' ' ' ILE . 93.6 mt -93.49 -26.47 17.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.52 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 2.7 p -85.16 154.24 60.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.698 0.761 . . . . 0.0 110.848 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.9 Cg_endo -69.79 -177.66 15.07 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.357 0.009 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.4 ' CD2' HD22 ' A' ' 31' ' ' LEU . 9.0 m-85 -122.07 129.47 52.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -92.48 129.07 38.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 1.8 mt -149.08 149.68 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 43.4 mtt-85 -124.47 116.6 22.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -78.16 111.67 14.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 -179.944 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.3 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.747 0.308 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.434 ' CE1' ' HA3' ' A' ' 99' ' ' GLY . 3.6 p90 -70.17 155.86 40.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -160.28 119.64 2.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.437 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -69.8 -43.78 71.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.6 p -48.13 -29.68 3.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 35.7 mmtm -90.62 28.4 1.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -117.97 128.6 75.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.9 p -139.67 156.05 47.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -139.64 145.83 38.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.5 m -146.88 143.04 28.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.13 -174.86 28.6 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -37.77 8.87 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.381 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.01 -31.22 39.58 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mt -113.31 24.46 12.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.1 t -60.77 120.74 10.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.3 p -69.34 -35.63 76.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -59.25 -33.21 70.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.05 156.61 6.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.445 HG11 ' OH ' ' A' ' 84' ' ' TYR . 28.7 m -122.56 146.22 47.0 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.614 0.721 . . . . 0.0 111.147 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 117.52 5.13 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.633 2.222 . . . . 0.0 112.392 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.41 153.36 35.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 t 55.14 42.11 30.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.648 HD13 ' HD2' ' A' ' 41' ' ' PRO . 0.4 OUTLIER -143.49 124.69 8.15 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.584 0.707 . . . . 0.0 110.935 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.648 ' HD2' HD13 ' A' ' 40' ' ' LEU . 53.4 Cg_endo -69.75 97.73 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.708 2.272 . . . . 0.0 112.308 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.544 HG13 ' CE2' ' A' ' 84' ' ' TYR . 11.4 p -112.02 151.67 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -140.53 159.48 42.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.475 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 13.6 p90 -125.44 179.54 5.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.69 130.31 48.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.9 mt -100.98 99.85 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -88.48 112.61 23.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.734 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -110.2 125.2 52.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -95.58 -56.86 2.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -122.42 29.69 6.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.734 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -79.52 13.35 2.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 46.79 -128.69 11.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -144.3 112.11 6.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.909 0.385 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -144.66 167.88 26.98 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.8 tp -74.34 110.05 8.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.858 0.361 . . . . 0.0 110.931 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.6 tp -84.88 139.76 31.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.68 147.71 45.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.0 t -119.07 124.69 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -118.57 105.38 11.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.562 HD12 ' HB2' ' A' ' 70' ' ' ALA . 74.8 mt -110.61 137.49 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.3 p -135.79 170.6 15.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.79 -176.56 2.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -52.3 -36.01 51.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -82.68 -25.74 32.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.45 38.16 4.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -100.91 155.27 36.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.565 0.698 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 135.15 29.67 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.329 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -119.06 152.56 36.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -80.31 126.82 31.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.562 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -134.55 139.99 45.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.3 mt -90.44 139.96 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.2 p -110.18 127.41 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.522 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 14.8 t-80 -106.21 134.31 49.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -115.41 111.33 20.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -100.55 -28.7 12.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? 56.8 37.71 28.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -129.2 25.11 5.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 96.03 -22.3 40.33 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.2 p -113.78 174.89 5.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 111.178 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -151.96 137.55 17.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -111.75 148.67 32.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.128 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.475 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 64.4 t -143.85 126.84 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 31.3 m -103.05 143.32 32.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.589 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 9.2 p90 -149.28 127.59 12.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.411 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 54.6 mt -103.14 95.46 6.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.585 0.707 . . . . 0.0 111.127 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.589 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.8 Cg_endo -69.73 104.67 1.35 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -94.17 -50.6 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -75.82 103.94 6.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 81.2 p -64.79 150.43 47.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.89 -129.92 4.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -108.91 122.09 46.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -107.55 131.87 53.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 5.6 ttm -121.16 110.85 16.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 18.7 mt -107.46 120.7 59.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -112.28 102.8 1.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.2 t -84.89 137.87 20.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.869 0.366 . . . . 0.0 111.107 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.504 HG22 ' CG ' ' A' ' 102' ' ' ASP . 25.8 p -128.2 145.32 51.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -135.13 116.26 14.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.434 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . 58.05 49.36 75.93 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.547 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 60.94 32.1 78.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.514 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -151.11 119.03 6.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.504 ' CG ' HG22 ' A' ' 97' ' ' THR . 0.3 OUTLIER -76.61 146.81 37.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.669 HD11 ' HE2' ' A' ' 108' ' ' TYR . 4.8 pt -72.44 156.94 89.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.624 0.726 . . . . 0.0 111.095 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 3.9 2.52 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.673 2.248 . . . . 0.0 112.348 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.474 ' HB2' HD12 ' A' ' 103' ' ' ILE . 4.5 mm? -104.18 -23.31 13.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.537 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 4.5 p -80.19 153.81 74.54 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.709 0.766 . . . . 0.0 110.813 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 106' ' ' SER . 54.3 Cg_endo -69.65 -179.64 19.52 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.388 -0.127 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.669 ' HE2' HD11 ' A' ' 103' ' ' ILE . 39.7 m-85 -117.84 112.6 20.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -85.03 132.75 34.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 111' ' ' ARG . 6.8 mt -154.85 160.94 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.119 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.42 ' N ' HG22 ' A' ' 110' ' ' ILE . 14.5 ttm180 -133.93 131.12 38.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -85.29 98.18 10.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 75.3 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.891 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.3 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.785 0.326 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.515 ' CE1' ' HA3' ' A' ' 99' ' ' GLY . 7.9 p90 -67.81 157.56 34.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -144.7 120.93 10.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.465 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -69.59 -51.16 37.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -49.36 -30.87 8.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.552 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 30.4 mmtm -83.91 33.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 54.5 t -117.12 123.77 72.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 p -140.19 144.4 36.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.187 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.19 153.91 43.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.8 m -145.17 149.68 35.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.77 -173.89 24.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.57 ' O ' HG12 ' A' ' 36' ' ' VAL . 54.1 Cg_endo -69.72 -37.15 9.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.344 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.46 -26.68 45.63 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.471 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.3 mt -118.25 25.1 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.4 t -69.66 120.02 14.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.2 t -61.42 -31.67 71.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -64.09 -22.5 66.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.8 158.76 10.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.5 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 29' ' ' PRO . 30.8 m -118.02 150.12 46.77 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.662 0.744 . . . . 0.0 111.12 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 115.23 4.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.45 163.24 5.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 t 39.69 40.06 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.82 HD13 ' HD2' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -139.31 126.43 12.85 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.705 . . . . 0.0 110.923 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.82 ' HD2' HD13 ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.76 97.68 0.65 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.671 2.247 . . . . 0.0 112.367 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.542 HG13 ' CE2' ' A' ' 84' ' ' TYR . 12.0 p -109.27 143.96 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -134.43 136.95 43.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.541 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 11.2 p90 -101.53 -179.28 3.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.85 133.73 52.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.078 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.4 mt -108.09 103.92 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -102.36 119.23 38.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.832 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -108.27 125.49 51.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 83.2 mtm-85 -94.35 -56.26 2.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -121.92 24.87 9.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.832 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -89.61 -14.7 34.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.26 -139.09 48.35 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -120.72 133.15 55.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.907 0.384 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.03 170.6 37.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 tp -65.27 108.81 2.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.851 0.357 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.9 tp -95.62 131.08 42.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.68 134.06 20.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 p -110.26 135.21 49.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -120.73 103.9 9.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.5 mt -96.54 133.74 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.7 p -136.55 167.31 21.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.88 -175.61 2.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -54.18 -36.02 62.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -84.55 -22.8 29.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.64 44.61 3.12 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -92.35 148.45 36.52 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.503 0.668 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 127.87 15.2 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.71 2.274 . . . . 0.0 112.344 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -118.45 159.42 23.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.1 tpp85 -95.91 144.23 26.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.18 143.53 49.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.088 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 57.4 mt -96.27 133.4 37.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.1 p -104.64 126.37 59.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -117.76 128.14 54.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.813 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -98.78 125.7 44.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -108.29 -29.7 8.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.36 31.08 20.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -124.72 29.37 6.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.02 22.52 65.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.4 p -148.62 178.07 8.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 0.0 111.126 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -151.67 133.06 14.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.47 148.09 31.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.541 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 83.9 t -141.95 114.92 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 77.6 m -93.19 143.16 26.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.542 ' CE2' HG13 ' A' ' 42' ' ' VAL . 1.7 p90 -152.55 130.29 11.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.424 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 40.4 mt -107.36 103.86 50.2 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.602 0.715 . . . . 0.0 111.139 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.5 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 53.5 Cg_endo -69.76 120.91 7.62 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.668 2.245 . . . . 0.0 112.345 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -100.41 -57.64 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -81.55 121.25 26.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 32.2 p -72.22 156.36 39.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 133.04 -145.87 17.83 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -96.88 128.4 43.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -109.7 135.21 51.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.481 ' CG ' ' HB2' ' A' ' 107' ' ' PRO . 3.6 ttm -119.74 111.82 18.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 26.0 mt -107.39 134.76 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -123.98 100.24 0.64 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.1 t -85.42 134.86 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.9 0.381 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.587 HG22 ' CG ' ' A' ' 102' ' ' ASP . 40.2 p -125.19 140.35 52.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -130.17 112.98 13.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.515 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . 66.27 47.96 67.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 59.22 32.24 71.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.475 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -153.35 118.14 5.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.329 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.587 ' CG ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -78.37 155.23 30.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.533 HD11 ' HE1' ' A' ' 108' ' ' TYR . 21.6 pt -81.43 154.85 71.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.591 0.71 . . . . 0.0 111.145 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 5.96 1.5 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.673 2.249 . . . . 0.0 112.298 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.472 ' HB2' HD12 ' A' ' 103' ' ' ILE . 48.9 mt -103.14 -26.55 12.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.534 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 8.2 p -77.16 155.36 82.32 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.674 0.75 . . . . 0.0 110.83 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 106' ' ' SER . 54.0 Cg_endo -69.78 -176.92 13.47 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.36 -0.022 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.533 ' HE1' HD11 ' A' ' 103' ' ' ILE . 24.0 m-85 -114.54 119.93 38.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.46 132.38 34.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 22.1 mt -151.16 154.72 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.3 mtp-105 -127.99 121.89 30.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -81.12 103.54 11.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.3 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 -179.903 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -171.96 162.1 5.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.0 p -169.09 166.79 10.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.63 -102.44 0.22 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.506 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m 53.29 49.83 18.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.357 . . . . 0.0 110.855 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -104.83 157.4 17.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.23 120.78 4.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -133.61 178.53 6.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.896 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.2 p -157.04 131.27 4.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.667 0.746 . . . . 0.0 110.816 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.455 ' HB2' ' CD1' ' A' ' 11' ' ' PHE . 53.7 Cg_endo -69.77 -25.97 28.0 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.347 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.455 ' CD1' ' HB2' ' A' ' 10' ' ' PRO . 76.5 m-85 -154.33 118.55 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -163.16 131.05 3.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.651 HG23 HG22 ' A' ' 15' ' ' VAL . 35.0 m -89.15 173.37 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -109.04 42.23 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.651 HG22 HG23 ' A' ' 13' ' ' VAL . 27.3 m -81.01 175.52 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.448 ' O ' HD12 ' A' ' 16' ' ' LEU . 4.4 pp -86.17 142.21 35.72 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.601 0.715 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.445 ' HB2' ' CD1' ' A' ' 19' ' ' TYR . 53.9 Cg_endo -69.71 152.9 69.66 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.382 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 93.0 m -72.6 -30.52 64.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.136 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.445 ' CD1' ' HB2' ' A' ' 17' ' ' PRO . 10.9 p90 -84.81 173.61 10.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.965 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -168.66 106.67 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.51 -45.96 69.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.0 p -48.22 -31.62 6.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.716 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 34.1 mmtm -89.76 30.47 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 76.4 t -115.98 130.25 71.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.1 p -138.85 158.7 43.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -139.15 146.68 40.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.062 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.6 m -147.96 151.06 35.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.78 -173.81 23.39 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -36.2 11.26 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.664 2.243 . . . . 0.0 112.328 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.5 -25.59 35.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.3 mt -120.2 23.22 11.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.809 0.338 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.3 t -64.84 126.18 27.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 80.1 p -74.17 -31.85 62.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.46 ' C ' ' CD1' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -60.36 -30.84 69.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.86 155.62 7.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.442 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -126.98 148.61 66.38 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.614 0.721 . . . . 0.0 111.129 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 124.33 11.0 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.654 2.236 . . . . 0.0 112.401 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.71 139.17 47.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.5 t 68.53 25.87 6.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -122.43 136.49 26.58 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.711 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 97.58 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.248 . . . . 0.0 112.336 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.747 HG13 ' CE2' ' A' ' 84' ' ' TYR . 13.7 p -110.93 146.49 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -142.79 142.94 31.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.58 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 19.6 p90 -108.01 175.5 5.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.96 138.31 54.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 29.6 mt -112.82 103.43 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.454 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.6 OUTLIER -101.42 115.92 31.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.762 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -106.78 125.63 51.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -95.15 -56.48 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -122.12 19.32 10.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.762 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -81.87 -18.47 43.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.88 -138.01 39.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -117.6 132.64 56.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.666 ' N ' ' CE2' ' A' ' 98' ' ' TYR . . . -160.38 138.64 5.63 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.529 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.1 tp -47.14 108.41 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.359 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.4 tp -87.24 144.41 26.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.48 140.3 20.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.2 p -123.58 140.43 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -133.97 104.4 6.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.2 mt -99.23 124.9 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.8 p -124.17 164.04 20.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.78 175.47 5.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -46.11 -33.29 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -86.75 -25.11 24.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.96 44.77 2.77 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -99.86 151.9 37.63 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.558 0.694 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 131.97 22.34 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.423 ' NZ ' ' OD2' ' A' ' 87' ' ' ASP . 17.2 mmtt -114.25 150.35 34.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -73.58 127.64 33.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -132.34 121.2 23.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.7 mt -90.2 146.91 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 p -111.19 122.75 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -111.76 123.63 50.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -102.04 123.62 46.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -106.57 -24.46 12.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.74 30.91 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -122.86 26.72 8.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.821 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 85.02 14.07 70.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.452 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.454 HG22 ' HA ' ' A' ' 47' ' ' ASP . 56.3 p -144.1 170.34 16.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 111.17 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -143.67 133.01 23.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.33 149.74 28.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.102 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.58 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 99.9 t -145.3 120.83 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 31.6 m -101.77 142.03 33.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.162 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.747 ' CE2' HG13 ' A' ' 42' ' ' VAL . 11.4 p90 -147.94 129.49 14.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.406 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 37.2 mt -105.71 96.25 12.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.59 0.71 . . . . 0.0 111.168 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.567 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 54.1 Cg_endo -69.71 97.32 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.256 . . . . 0.0 112.357 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.423 ' OD2' ' NZ ' ' A' ' 68' ' ' LYS . 2.8 m-20 -74.6 -61.18 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -86.13 97.87 10.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.886 HG21 ' HG2' ' A' ' 114' ' ' GLN . 0.1 OUTLIER -49.12 172.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.472 ' N ' ' OG1' ' A' ' 89' ' ' THR . . . 126.5 -179.8 16.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -61.23 110.56 1.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -100.98 128.09 47.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 5.0 ttm -115.89 108.72 16.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 52.4 mt -97.79 129.44 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -115.41 91.68 0.56 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.497 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 97.1 t -79.19 145.25 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 111.175 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.581 HG22 ' HA ' ' A' ' 102' ' ' ASP . 27.6 p -145.55 147.11 31.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.666 ' CE2' ' N ' ' A' ' 54' ' ' GLY . 4.5 t80 -133.43 117.82 17.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.55 45.24 96.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.546 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.57 34.5 90.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -149.54 119.85 7.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.581 ' HA ' HG22 ' A' ' 97' ' ' THR . 2.9 p30 -74.8 141.49 44.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.566 HD12 ' HB2' ' A' ' 105' ' ' LEU . 20.3 pt -76.28 153.55 84.17 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.619 0.723 . . . . 0.0 111.114 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 1.28 4.59 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.322 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.566 ' HB2' HD12 ' A' ' 103' ' ' ILE . 66.7 mt -93.59 -33.84 13.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.51 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.5 m -81.41 160.8 64.05 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.69 0.757 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.76 179.95 20.9 Favored 'Cis proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.351 -0.016 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -120.87 132.68 55.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -100.75 120.74 40.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 15.7 mt -137.01 154.48 31.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.426 ' N ' ' HD2' ' A' ' 111' ' ' ARG . 4.8 mpt_? -123.99 121.76 36.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -82.91 108.23 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 69.2 p -73.03 101.58 3.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.886 ' HG2' HG21 ' A' ' 89' ' ' THR . 2.9 pp0? -107.83 164.75 11.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 71.0 p -140.7 131.75 26.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 82.68 -111.86 3.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 53.44 47.31 24.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.25 141.98 52.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.789 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 p -150.9 177.8 9.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 110.845 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -170.46 171.37 6.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.31 -169.04 12.19 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 t -165.29 163.74 20.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.887 0.375 . . . . 0.0 110.821 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -139.77 163.08 33.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.25 55.29 0.52 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -145.18 144.52 30.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.349 . . . . 0.0 110.869 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 t -107.66 82.85 1.43 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.656 0.741 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 107.43 1.86 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.679 2.252 . . . . 0.0 112.328 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -166.58 123.69 1.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -174.28 167.66 4.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.5 t -52.63 148.26 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.0 tptt -108.08 113.04 25.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.7 m -127.46 142.39 43.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.677 ' H ' HD12 ' A' ' 16' ' ' LEU . 4.2 mp -58.37 144.21 78.46 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.663 0.744 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.529 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 54.0 Cg_endo -69.72 162.14 43.2 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.4 m -92.06 -22.36 19.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.529 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 6.2 p90 -67.04 145.92 54.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.09 110.03 4.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.796 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.524 ' HB2' ' HB3' ' A' ' 98' ' ' TYR . . . -62.18 -42.02 98.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.431 ' HA ' ' CD ' ' A' ' 104' ' ' PRO . 8.7 m -48.32 -29.36 3.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.472 ' CD ' ' HB3' ' A' ' 50' ' ' ASP . 37.3 mmtt -84.65 20.56 1.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 21' ' ' ALA . 95.9 t -114.79 124.07 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.6 p -134.9 149.99 50.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -134.57 151.44 51.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.4 m -148.35 156.56 42.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.15 -173.37 23.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.535 ' O ' HG12 ' A' ' 36' ' ' VAL . 53.8 Cg_endo -69.77 -36.31 11.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.08 -30.21 46.04 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.432 HD22 ' CD2' ' A' ' 108' ' ' TYR . 7.1 mt -114.31 26.16 10.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.7 t -63.96 119.77 10.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.6 p -65.19 -39.29 92.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -59.99 -32.66 71.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.919 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.63 155.9 6.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 29' ' ' PRO . 34.0 m -116.8 148.41 42.0 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.637 0.732 . . . . 0.0 111.155 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 116.2 4.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.646 2.231 . . . . 0.0 112.372 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.74 158.4 30.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.3 m 52.2 37.41 21.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.858 HD22 ' HD2' ' A' ' 41' ' ' PRO . 1.7 tm? -143.03 127.28 9.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.551 0.691 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.858 ' HD2' HD22 ' A' ' 40' ' ' LEU . 54.4 Cg_endo -69.75 98.48 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.264 . . . . 0.0 112.354 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.548 HG13 ' CE2' ' A' ' 84' ' ' TYR . 8.6 p -109.48 143.21 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -135.56 143.51 45.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -108.39 -179.45 3.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.06 127.31 37.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.6 mt -98.28 109.58 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -98.46 116.54 30.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.734 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -112.45 125.69 54.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -95.21 -56.33 2.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.472 ' HB3' ' CD ' ' A' ' 23' ' ' LYS . 3.1 t0 -122.1 29.83 6.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.734 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -79.12 12.31 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 45.37 -128.41 8.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -139.99 122.97 16.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -157.82 169.06 34.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.506 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.6 tp -78.65 115.17 18.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.3 tp -87.01 130.48 34.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.48 ' HB3' ' OG1' ' A' ' 97' ' ' THR . . . -122.25 136.15 54.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.053 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.4 HG21 HG21 ' A' ' 82' ' ' VAL . 97.5 t -114.02 123.28 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -123.32 111.75 16.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.687 HD12 ' HB2' ' A' ' 70' ' ' ALA . 71.7 mt -112.54 127.88 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.8 p -128.97 154.6 46.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -114.64 -175.76 2.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -51.0 -27.81 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -79.49 -25.64 41.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.98 12.47 65.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.463 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -95.48 152.96 39.6 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.59 0.709 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 126.11 12.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.265 . . . . 0.0 112.384 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -92.26 177.91 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -95.09 113.26 24.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.687 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -129.06 150.31 50.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.051 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.428 ' O ' HG13 ' A' ' 82' ' ' VAL . 26.3 mt -104.41 143.57 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 p -111.15 117.41 54.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 7.3 t-80 -103.0 122.26 44.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -101.37 112.39 24.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -92.76 -29.34 16.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm 57.46 27.4 13.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -122.13 23.41 9.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.12 -25.17 28.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.515 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.9 p -110.91 176.9 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.778 0.323 . . . . 0.0 111.155 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -149.0 143.74 26.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.517 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -121.37 135.52 55.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' ' 71' ' ' ILE . 61.7 t -132.93 126.02 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.0 m -103.32 139.87 38.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.569 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 7.8 p90 -150.07 127.13 11.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.6 mt -107.93 97.15 19.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.569 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.81 107.92 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.623 2.215 . . . . 0.0 112.346 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.66 -38.47 21.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -92.02 139.48 30.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.559 HG21 ' HB2' ' A' ' 114' ' ' GLN . 41.0 p -97.15 129.99 44.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 164.29 -125.55 1.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.514 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -110.61 134.72 52.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -124.78 130.43 52.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.8 ttm -119.48 120.63 37.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 18.8 mt -110.74 116.75 53.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -104.11 93.1 0.94 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.402 ' HB ' HD11 ' A' ' 103' ' ' ILE . 85.7 t -81.83 132.48 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.378 . . . . 0.0 111.158 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.48 ' OG1' ' HB3' ' A' ' 57' ' ' ALA . 34.4 p -128.33 148.85 50.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.524 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 4.8 t80 -134.45 118.1 17.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 59.3 42.39 97.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.466 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 67.87 30.98 74.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.19 117.21 7.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.403 ' HA ' HG22 ' A' ' 97' ' ' THR . 0.1 OUTLIER -68.88 132.7 47.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.484 HD12 ' HB2' ' A' ' 105' ' ' LEU . 12.8 pt -65.39 154.87 86.74 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.682 0.753 . . . . 0.0 111.081 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.431 ' CD ' ' HA ' ' A' ' 22' ' ' SER . 54.4 Cg_endo -69.74 2.94 3.07 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.713 2.276 . . . . 0.0 112.366 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.484 ' HB2' HD12 ' A' ' 103' ' ' ILE . 32.6 mt -100.2 -28.23 13.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.532 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 2.5 p -83.56 154.72 65.69 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.684 0.754 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.9 Cg_endo -69.77 -177.39 14.46 Favored 'Cis proline' 0 C--N 1.342 0.221 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.372 0.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.432 ' CD2' HD22 ' A' ' 31' ' ' LEU . 8.2 m-85 -123.21 125.67 45.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -93.1 123.43 36.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 111' ' ' ARG . 22.2 mt -142.57 157.31 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.443 ' N ' HG22 ' A' ' 110' ' ' ILE . 6.2 mpt_? -133.44 126.04 30.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -80.92 110.19 16.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.049 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 80.8 p -79.59 116.38 19.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.559 ' HB2' HG21 ' A' ' 89' ' ' THR . 39.0 tp60 -92.9 44.2 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 38.0 p -65.23 126.02 26.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.094 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 116.44 -164.8 12.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.457 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -157.21 142.07 16.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.756 0.312 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.49 137.04 47.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.1 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -179.753 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.8 m -42.0 130.66 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.866 0.365 . . . . 0.0 110.892 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.2 m -130.05 173.03 11.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.39 -178.12 44.68 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 t -144.68 134.64 23.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.92 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -91.04 162.99 14.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.77 142.79 5.98 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.5 mtp85 -111.99 -58.53 2.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.318 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 t -152.97 141.18 13.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.68 0.752 . . . . 0.0 110.857 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 149.24 66.8 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.381 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -123.42 85.9 2.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' CD ' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -154.91 164.11 39.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.403 ' O ' ' CD ' ' A' ' 12' ' ' LYS . 31.1 m -77.47 170.76 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.9 tttp -171.58 151.86 3.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -101.9 174.98 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.5 mt -41.24 146.57 0.5 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.618 0.723 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 175.92 7.42 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.379 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.7 m -115.54 -19.68 10.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -61.48 146.94 46.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -144.74 113.11 6.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.49 -46.48 83.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.063 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 m -49.21 -32.26 10.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.902 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.697 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 29.4 mmmt -87.98 33.59 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.0 t -125.8 113.4 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.654 HG22 HD11 ' A' ' 105' ' ' LEU . 64.2 p -124.95 164.14 20.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.53 149.59 39.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 m -147.04 148.76 31.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 144.59 -174.81 24.62 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.449 ' HG2' ' CG2' ' A' ' 42' ' ' VAL . 53.8 Cg_endo -69.74 -37.51 9.13 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.661 2.24 . . . . 0.0 112.374 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.87 -32.1 33.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 mt -109.29 24.9 12.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.82 0.343 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.9 t -63.45 117.52 6.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.0 p -64.32 -36.7 84.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -60.16 -34.19 73.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.41 158.5 8.09 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.55 HG21 ' OH ' ' A' ' 84' ' ' TYR . 32.5 m -118.64 148.53 44.45 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.719 . . . . 0.0 111.14 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 117.17 4.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.321 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.32 160.34 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.7 m 47.33 37.52 6.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.45 HD13 ' N ' ' A' ' 41' ' ' PRO . 0.7 OUTLIER -137.33 118.8 10.92 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.638 0.732 . . . . 0.0 110.898 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.45 ' N ' HD13 ' A' ' 40' ' ' LEU . 54.0 Cg_endo -69.72 97.17 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.376 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.503 HG13 ' CE2' ' A' ' 84' ' ' TYR . 11.4 p -106.85 143.32 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.5 p30 -133.28 145.42 50.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -110.25 -176.04 2.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.04 127.41 36.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.0 mt -97.85 103.28 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -92.97 118.88 31.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.691 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -110.97 124.63 52.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -96.33 -57.12 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.471 ' HB2' ' CE ' ' A' ' 23' ' ' LYS . 4.0 m-20 -122.66 25.61 8.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 23' ' ' LYS . . . -87.35 17.01 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.069 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.27 -131.05 2.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.557 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -137.39 127.92 26.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.953 0.406 . . . . 0.0 110.832 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.45 172.9 33.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.444 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.421 ' C ' HD23 ' A' ' 55' ' ' LEU . 6.7 tt -78.93 111.37 15.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.841 0.353 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 tp -89.04 143.6 26.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -127.03 155.34 43.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.056 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 99.7 t -124.75 117.32 49.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -120.57 111.06 17.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.617 HD12 ' HB2' ' A' ' 70' ' ' ALA . 65.6 mt -119.91 128.67 75.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.0 p -138.5 168.06 20.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.188 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.21 -176.74 2.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -51.29 -36.68 43.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -79.07 -24.29 43.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.34 32.46 7.76 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.538 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -93.55 155.37 40.75 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 147.69 63.32 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.73 2.287 . . . . 0.0 112.282 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -129.92 138.33 50.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -69.3 125.09 25.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.617 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -133.62 152.49 51.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.8 mt -110.26 145.4 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.159 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.0 p -109.93 111.16 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -97.19 111.15 23.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -98.93 126.77 44.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -107.42 -33.45 7.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.69 37.79 22.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -123.81 -13.92 7.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 138.3 -5.08 3.21 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.413 ' C ' ' CD1' ' A' ' 80' ' ' TYR . 24.5 p -137.84 176.3 8.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.769 0.319 . . . . 0.0 111.173 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 79' ' ' THR . 13.7 m-85 -145.92 144.83 30.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.977 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.35 148.85 44.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 84.5 t -143.79 114.14 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.6 m -90.28 145.53 24.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.552 ' CE1' ' HD3' ' A' ' 86' ' ' PRO . 2.3 p90 -151.55 128.21 10.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.4 ' CG1' ' HB3' ' A' ' 41' ' ' PRO . 27.7 mt -105.56 100.37 26.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.646 0.736 . . . . 0.0 111.107 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.552 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 54.1 Cg_endo -69.81 97.73 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -91.57 25.2 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -143.99 160.52 40.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.55 HG21 ' OE1' ' A' ' 114' ' ' GLN . 35.4 p -118.66 129.86 55.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 150.96 -121.62 1.25 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -117.35 129.78 56.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.799 0.333 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -112.56 114.79 27.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -100.25 126.42 46.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 72.0 mt -120.52 128.24 76.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -116.73 93.44 0.59 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.526 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.4 t -81.89 130.55 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.92 0.391 . . . . 0.0 111.12 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 21.2 p -126.54 145.37 50.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -130.85 118.28 20.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 58.06 49.11 78.22 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.531 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 60.6 36.92 92.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.474 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -154.06 118.43 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.353 . . . . 0.0 110.835 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -68.81 139.39 55.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.418 HD12 ' HB2' ' A' ' 105' ' ' LEU . 24.1 pt -71.64 151.91 93.59 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.674 0.75 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.41 2.81 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.654 HD11 HG22 ' A' ' 25' ' ' THR . 33.4 mt -99.24 -26.49 14.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.505 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.3 m -85.32 161.45 51.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.9 Cg_endo -69.75 -179.32 18.81 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.331 -0.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -121.43 130.36 53.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -97.15 122.32 40.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.508 HG22 ' N ' ' A' ' 111' ' ' ARG . 22.6 mt -143.18 161.42 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.508 ' N ' HG22 ' A' ' 110' ' ' ILE . 0.3 OUTLIER -148.01 145.74 28.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -91.3 138.88 31.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.088 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 73.1 p -106.89 94.49 5.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.55 ' OE1' HG21 ' A' ' 89' ' ' THR . 11.4 pt20 -78.27 46.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 115' ' ' THR . 8.9 t -99.75 124.91 45.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 79.02 44.38 9.93 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -82.82 163.23 21.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.825 0.345 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.82 132.56 54.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 72.5 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.784 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 p -172.99 142.66 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.891 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 p -93.52 155.64 17.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.2 127.79 1.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.1 p -144.66 114.34 7.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.9 0.381 . . . . 0.0 110.872 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 p -109.99 158.24 18.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.42 129.61 1.1 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.8 mmm-85 -103.44 -36.79 7.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.339 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.436 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 1.8 m 58.2 54.68 6.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.648 0.737 . . . . 0.0 110.829 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 9' ' ' SER . 53.5 Cg_endo -69.78 115.17 3.97 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.5 ' CD2' ' O ' ' A' ' 11' ' ' PHE . 28.2 p90 -112.89 85.68 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -145.6 174.18 11.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -80.5 160.0 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.17 146.72 29.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.8 m -126.2 170.24 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.556 HD23 ' H ' ' A' ' 16' ' ' LEU . 2.4 pt? -66.42 142.21 97.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.57 0.7 . . . . 0.0 110.95 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.585 ' HB2' ' CD1' ' A' ' 19' ' ' TYR . 53.6 Cg_endo -69.84 153.1 68.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.615 2.21 . . . . 0.0 112.355 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.5 m -71.4 -34.86 70.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.144 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.585 ' CD1' ' HB2' ' A' ' 17' ' ' PRO . 14.1 p90 -69.56 157.78 36.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -146.61 120.19 9.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.592 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -68.56 -44.8 73.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -52.55 -28.58 21.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.817 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -87.69 28.78 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 70.6 t -120.87 129.85 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.4 p -144.01 166.37 25.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.23 154.54 43.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.3 m -148.76 148.73 30.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.37 -173.45 24.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.631 ' O ' HG12 ' A' ' 36' ' ' VAL . 54.1 Cg_endo -69.69 -37.07 9.85 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.713 2.275 . . . . 0.0 112.35 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.81 -29.46 54.82 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 mt -117.35 25.42 10.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.953 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.3 t -67.63 109.77 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 t -52.84 -35.73 57.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -59.84 -32.98 71.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.955 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.31 157.88 7.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 29' ' ' PRO . 26.9 m -120.08 150.38 51.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 111.142 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 115.31 4.03 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.25 . . . . 0.0 112.336 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.58 163.37 5.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.093 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.3 t 41.1 42.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.812 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.684 HD13 ' HD2' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -143.67 124.56 7.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.575 0.702 . . . . 0.0 110.895 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.684 ' HD2' HD13 ' A' ' 40' ' ' LEU . 54.2 Cg_endo -69.71 97.81 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.375 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.682 HG13 ' CE2' ' A' ' 84' ' ' TYR . 9.2 p -107.03 148.07 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -138.06 139.32 39.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.568 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 8.1 p90 -107.35 -176.2 3.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.61 132.24 46.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.2 mt -107.68 110.23 31.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -107.1 120.43 42.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.824 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -108.91 125.69 52.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -94.96 -55.63 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -121.96 32.08 5.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.824 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -93.65 -21.48 19.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.9 -140.08 35.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -121.3 134.55 55.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -163.46 159.18 31.77 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.8 tp -59.25 106.62 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.374 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.3 tp -93.4 140.58 29.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.56 154.63 45.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.081 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.9 t -121.47 123.14 68.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -125.28 112.98 17.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.609 HD12 ' HB2' ' A' ' 70' ' ' ALA . 78.4 mt -116.77 140.91 37.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.0 p -137.61 171.71 14.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.03 -175.17 2.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -53.43 -37.68 62.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -81.33 -25.76 36.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.35 40.77 3.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.445 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -96.53 156.3 36.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.569 0.699 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 127.64 14.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.636 2.224 . . . . 0.0 112.354 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -115.98 141.04 48.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -76.64 132.36 39.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.609 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -133.86 149.23 51.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.9 mt -93.12 149.24 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.17 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.459 ' O ' HG13 ' A' ' 72' ' ' VAL . 14.4 p -124.64 125.08 69.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -116.01 136.2 53.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -111.11 121.62 45.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -103.63 -36.53 7.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? 64.77 36.38 8.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -131.74 30.6 4.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 80.09 22.47 63.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.511 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.3 p -148.6 176.19 10.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 111.085 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -152.04 136.38 16.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -113.38 143.25 44.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.568 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 69.3 t -141.47 127.58 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.7 m -109.38 145.88 35.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.682 ' CE2' HG13 ' A' ' 42' ' ' VAL . 9.2 p90 -151.43 134.26 15.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.417 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 43.1 mt -108.76 96.55 20.31 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.634 0.73 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.569 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.7 Cg_endo -69.75 91.14 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -93.84 33.33 1.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -153.8 127.96 9.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.1 p -78.94 129.83 34.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 153.07 -143.55 10.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -110.57 136.06 50.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.866 0.365 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -114.15 124.38 51.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -105.89 110.43 22.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 45.0 mt -103.17 124.54 57.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.16 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -110.34 91.56 0.63 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 98.3 t -79.01 130.97 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.946 0.403 . . . . 0.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 29.2 p -129.94 145.49 51.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -133.67 119.51 19.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.419 ' HA3' ' CE2' ' A' ' 19' ' ' TYR . . . 59.99 45.14 96.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 62.52 35.05 91.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -150.35 119.78 6.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -75.01 139.61 43.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 21' ' ' ALA . 23.2 pt -74.07 153.7 88.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.589 0.709 . . . . 0.0 111.161 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 3.07 2.97 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.516 ' HB2' HD12 ' A' ' 103' ' ' ILE . 4.2 mm? -95.95 -31.79 12.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.508 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.5 m -83.23 160.92 58.86 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.673 0.749 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 106' ' ' SER . 54.0 Cg_endo -69.78 170.82 56.71 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.322 0.025 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -110.33 127.69 55.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -97.57 120.37 37.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 30.6 mt -136.05 150.32 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -122.08 117.04 25.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.14 99.21 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 71.2 p -71.61 124.26 24.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? -97.53 147.22 24.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 69.0 m -155.74 105.37 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -116.38 -170.46 15.69 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.7 172.51 12.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.05 107.29 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.795 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -162.2 165.7 26.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.911 0.386 . . . . 0.0 110.838 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 p -170.97 177.72 3.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.32 173.81 29.06 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -154.54 169.63 23.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 110.898 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -131.42 159.59 37.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.829 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.37 96.26 0.12 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.456 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -134.18 136.8 43.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 m -172.73 143.39 1.17 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.662 0.744 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -165.74 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.294 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 11' ' ' PHE . 29.6 p90 -128.56 89.65 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -138.75 172.23 13.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.3 p -55.85 149.19 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.166 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.47 113.68 25.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.8 m -100.49 167.58 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.0 mt -49.78 143.83 10.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 0.0 110.941 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.546 ' HB2' ' CD1' ' A' ' 19' ' ' TYR . 53.7 Cg_endo -69.82 151.16 68.67 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.7 m -67.63 -33.94 75.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.546 ' CD1' ' HB2' ' A' ' 17' ' ' PRO . 29.5 p90 -77.72 165.17 24.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -149.74 126.86 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.57 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -74.44 -56.22 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.074 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.7 t -51.24 -22.44 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -83.15 20.04 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 68.0 t -116.05 126.85 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.1 p -132.73 132.35 42.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.57 145.25 41.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.2 m -147.53 152.11 37.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.75 -174.12 23.68 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.518 ' O ' HG12 ' A' ' 36' ' ' VAL . 54.0 Cg_endo -69.71 -34.58 14.46 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.661 2.241 . . . . 0.0 112.393 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.77 -19.42 58.45 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mt -121.13 24.47 10.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 0.0 110.937 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.2 t -71.1 111.42 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.7 p -57.26 -29.24 63.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -64.35 -32.61 74.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.9 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.7 157.85 7.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 29' ' ' PRO . 16.1 m -121.58 146.84 46.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.603 0.715 . . . . 0.0 111.123 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 120.24 7.06 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.715 2.277 . . . . 0.0 112.313 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 39' ' ' SER . . . -63.2 171.42 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' ALA . 51.9 m 36.21 37.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.8 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.716 HD22 ' HD2' ' A' ' 41' ' ' PRO . 1.5 tm? -137.69 123.77 13.05 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.63 0.728 . . . . 0.0 110.94 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.716 ' HD2' HD22 ' A' ' 40' ' ' LEU . 53.4 Cg_endo -69.77 98.01 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 p -109.36 144.96 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -138.96 139.21 37.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.442 ' HE2' HD11 ' A' ' 46' ' ' ILE . 30.9 p90 -104.79 -176.41 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.64 133.86 42.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.063 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.442 HD11 ' HE2' ' A' ' 44' ' ' PHE . 36.2 mt -108.42 106.72 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.91 120.08 39.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.972 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -115.06 125.69 53.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -95.05 -52.44 4.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -118.08 28.75 8.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.972 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -89.79 -20.7 23.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.12 -136.69 43.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -120.66 141.25 50.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.28 146.9 10.21 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.466 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 tt -51.55 105.99 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.943 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.9 tp -86.5 136.87 32.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.21 138.69 49.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.9 t -112.46 108.67 26.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -110.02 117.48 33.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.555 HD12 ' HB2' ' A' ' 70' ' ' ALA . 69.6 mt -124.56 130.21 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.9 p -136.19 153.76 51.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.1 p30 -114.62 -175.82 2.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.435 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -52.36 -25.83 10.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.435 ' N ' ' OE1' ' A' ' 63' ' ' GLN . 4.6 tp10 -82.45 -23.51 34.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.81 10.14 73.16 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.6 pttt -91.94 152.87 43.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.524 0.678 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 132.05 22.58 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.691 2.261 . . . . 0.0 112.37 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -104.19 150.04 24.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.2 ttm-85 -71.35 121.08 17.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.555 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -134.35 146.98 50.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.9 mt -98.39 141.52 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.6 p -106.06 119.93 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.862 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 1.8 t60 -99.9 123.38 44.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -114.79 111.4 21.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -92.41 -28.61 16.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? 53.65 32.02 13.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -122.91 -10.37 8.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 129.96 22.81 1.1 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.6 p -152.76 178.02 10.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 111.12 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -152.15 125.31 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.862 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -113.1 148.55 35.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 31.9 t -142.62 121.08 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.5 m -100.39 140.02 35.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -148.72 136.56 20.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.423 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 31.0 mt -108.66 104.45 54.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.585 0.707 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 85' ' ' ILE . 53.7 Cg_endo -69.79 88.14 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.56 -57.86 7.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.814 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -74.08 171.67 13.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.68 HG21 ' OE1' ' A' ' 114' ' ' GLN . 42.8 p -123.6 134.45 53.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.103 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 152.42 -121.71 1.21 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.428 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -114.6 141.11 48.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -125.0 127.47 47.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 50.6 ttm -110.64 126.4 54.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 51.8 mt -122.39 124.85 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -113.07 94.4 0.72 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.9 t -80.62 130.66 35.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 111.145 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.574 HG22 ' HB3' ' A' ' 102' ' ' ASP . 17.7 p -129.07 149.36 50.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -139.87 116.9 11.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.482 ' HA3' ' CE2' ' A' ' 19' ' ' TYR . . . 62.36 44.65 97.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.469 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 64.9 26.58 71.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -141.84 118.84 11.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.574 ' HB3' HG22 ' A' ' 97' ' ' THR . 1.1 p30 -81.93 130.44 35.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.57 HG22 ' O ' ' A' ' 21' ' ' ALA . 13.7 pt -59.56 153.29 51.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 111.162 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 3.01 3.02 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -97.08 -25.01 15.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.529 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 4.9 p -82.92 153.35 67.01 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.684 0.754 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.79 -176.94 13.53 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.317 0.056 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -119.83 131.98 55.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 29.9 mmm-85 -95.96 121.05 37.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.846 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.3 mt -139.68 151.71 22.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -130.11 131.14 45.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.69 119.97 29.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 80.6 p -100.4 101.67 12.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.68 ' OE1' HG21 ' A' ' 89' ' ' THR . 5.9 pt20 -85.31 120.97 27.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 7.2 p -123.05 102.38 7.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 67.49 78.15 0.29 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.52 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -61.29 -53.85 51.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -80.19 128.31 33.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 67.1 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.769 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 t -168.82 118.68 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.872 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 m -158.62 174.26 15.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.68 130.17 1.61 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -161.84 164.91 28.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.858 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -170.84 166.14 7.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.807 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.87 147.85 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.498 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -172.75 107.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 110.814 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -106.6 131.57 21.6 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.625 0.726 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' PHE . 53.0 Cg_endo -69.84 -19.66 35.48 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.328 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' PRO . 10.0 t80 38.25 41.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -84.1 41.79 0.84 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.7 m -100.68 130.39 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.46 81.98 2.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.9 m -123.43 151.18 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.3 mt -70.7 143.95 90.39 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.626 0.727 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.592 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 53.9 Cg_endo -69.76 149.97 67.56 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.728 2.285 . . . . 0.0 112.368 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.4 m -66.48 -36.52 82.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.592 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 18.5 p90 -68.77 176.62 2.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -168.31 132.77 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.439 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -80.71 -45.8 16.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 82.4 p -49.32 -31.88 10.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -88.15 24.65 1.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.2 t -113.36 128.8 69.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.0 p -137.91 160.3 39.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.169 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.46 147.72 40.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.0 p -147.6 151.42 36.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.25 -178.17 21.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -34.93 13.51 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.735 2.29 . . . . 0.0 112.354 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.12 -31.84 56.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.0 mt -108.86 25.11 12.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.818 0.342 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.7 t -65.45 125.27 24.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.3 m -72.01 -35.41 69.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.824 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -61.29 -33.52 73.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.29 154.83 6.46 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.4 m -117.38 151.92 48.66 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.647 0.737 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 116.59 4.63 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.87 161.22 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.086 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t 38.93 45.81 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.729 HD13 ' HD2' ' A' ' 41' ' ' PRO . 0.4 OUTLIER -141.03 128.76 12.15 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.659 0.742 . . . . 0.0 110.927 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.729 ' HD2' HD13 ' A' ' 40' ' ' LEU . 54.1 Cg_endo -69.77 98.4 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.458 HG13 ' CE2' ' A' ' 84' ' ' TYR . 6.8 p -110.66 149.16 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -143.45 147.41 34.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.567 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 13.2 p90 -113.09 -179.84 3.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.57 133.89 50.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.057 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 30.5 mt -108.22 100.09 10.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -95.09 117.91 30.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.796 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -109.97 125.53 52.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -95.29 -55.77 2.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.15 32.27 5.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.796 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -95.63 -23.91 16.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.049 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.47 -140.23 33.28 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -122.46 132.47 54.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.51 173.93 34.28 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.429 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mt -67.01 99.37 0.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.1 tp -85.91 131.17 34.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.88 153.86 50.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.63 HG11 HG11 ' A' ' 82' ' ' VAL . 94.3 t -131.14 104.72 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -106.09 107.21 18.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.8 mt -111.12 131.22 62.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.1 p -136.8 168.98 18.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.0 -178.64 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -51.09 -38.34 51.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -81.79 -25.78 34.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.5 34.63 5.73 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -90.41 153.39 46.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 123.81 10.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.661 2.241 . . . . 0.0 112.351 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -105.79 159.09 16.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.2 ttm-85 -79.02 125.4 29.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.53 124.55 27.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.2 mt -100.19 147.59 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.4 p -115.66 125.74 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -112.46 134.09 54.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.1 117.94 35.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -101.49 -30.84 11.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.31 30.25 19.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -125.33 30.1 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.17 25.91 58.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.3 p -152.14 174.48 13.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.776 0.322 . . . . 0.0 111.162 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -152.06 134.33 15.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.93 145.84 38.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.062 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.63 HG11 HG11 ' A' ' 58' ' ' VAL . 59.9 t -139.39 117.3 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.6 m -98.69 144.16 28.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.571 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 7.0 p90 -150.19 132.67 15.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 62.3 mt -106.29 98.2 18.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.584 0.707 . . . . 0.0 111.16 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.571 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.82 98.44 0.69 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -62.73 -66.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -82.89 164.83 20.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.0 p -110.16 140.61 44.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 157.38 -143.65 9.77 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.3 mtt-85 -90.54 125.11 35.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.794 0.33 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -113.85 120.86 42.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 12.1 tpp -108.16 126.17 52.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 50.0 mt -121.86 141.14 43.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.155 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -123.08 96.59 0.55 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.0 t -84.47 118.58 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.955 0.407 . . . . 0.0 111.112 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.1 p -118.94 144.61 46.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -135.66 114.64 12.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.961 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.472 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . 63.32 46.69 92.26 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 59.99 32.92 76.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -148.2 117.38 6.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.02 139.19 39.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.505 HD12 ' HB2' ' A' ' 105' ' ' LEU . 9.3 pt -71.66 155.38 92.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.634 0.731 . . . . 0.0 111.097 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 2.74 3.24 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.67 2.247 . . . . 0.0 112.376 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.505 ' HB2' HD12 ' A' ' 103' ' ' ILE . 4.6 mm? -101.88 -29.82 11.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.539 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 2.9 p -78.49 154.53 79.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.682 0.753 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 106' ' ' SER . 54.1 Cg_endo -69.71 -177.25 14.07 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.368 -0.081 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.4 ' HE1' HD11 ' A' ' 103' ' ' ILE . 35.8 m-85 -115.79 125.78 53.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.944 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 44.5 mtt-85 -88.64 122.91 32.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.437 HG22 ' N ' ' A' ' 111' ' ' ARG . 19.8 mt -143.91 157.46 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.437 ' N ' HG22 ' A' ' 110' ' ' ILE . 7.6 ptm180 -144.65 130.76 19.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.08 117.07 26.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.9 t -104.52 137.91 41.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -115.26 121.43 42.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 52.5 m -129.1 110.8 12.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 161.62 99.7 0.15 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.53 146.56 48.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.866 0.365 . . . . 0.0 110.848 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -133.92 121.74 22.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.782 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -162.93 177.37 9.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.854 0.359 . . . . 0.0 110.85 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -161.26 175.23 12.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.06 148.47 4.79 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 t -155.43 159.08 39.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 110.865 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -103.5 -64.14 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.823 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.6 101.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.7 mtt85 -153.38 156.44 38.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 99.3 p -136.86 150.57 70.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.612 0.72 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 92.73 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 11' ' ' PHE . 1.4 p90 -174.28 118.64 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -150.77 113.69 4.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.3 p -91.21 135.05 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -92.79 115.86 28.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.6 m -129.37 -178.64 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mp -97.77 143.96 27.15 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.718 . . . . 0.0 110.936 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.448 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 53.4 Cg_endo -69.77 162.82 40.63 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.66 2.24 . . . . 0.0 112.305 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.3 m -94.5 -23.85 17.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.448 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 4.7 p90 -65.43 147.5 53.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -148.11 108.69 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.512 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -58.4 -41.36 84.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.2 p -52.51 -27.59 17.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.515 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 70.8 mmtt -91.24 33.45 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.933 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.8 t -117.68 122.19 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.4 p -142.12 151.01 41.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.163 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -135.77 152.23 50.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.073 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.9 m -145.74 152.51 39.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.99 -173.15 23.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -35.61 12.4 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.722 2.281 . . . . 0.0 112.324 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.95 -25.27 45.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.7 mt -118.11 20.98 13.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.822 0.344 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.2 t -62.38 117.28 5.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.7 p -67.01 -32.42 73.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -62.69 -30.15 71.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.02 155.51 7.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.448 HG21 ' OH ' ' A' ' 84' ' ' TYR . 17.4 m -122.58 150.77 58.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.602 0.715 . . . . 0.0 111.136 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 114.85 3.84 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.94 166.26 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t 38.58 43.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.822 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.827 HD13 ' HD2' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -141.8 128.0 11.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 0.0 110.897 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.827 ' HD2' HD13 ' A' ' 40' ' ' LEU . 54.0 Cg_endo -69.79 97.42 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.635 2.223 . . . . 0.0 112.332 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.626 HG13 ' CE2' ' A' ' 84' ' ' TYR . 9.2 p -111.6 143.1 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.3 152.13 50.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -117.76 -176.38 3.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.46 127.71 35.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.051 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.3 mt -96.97 101.96 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -90.68 117.15 29.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.725 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -107.93 125.17 51.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -95.73 -57.23 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -122.81 26.2 8.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.725 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -83.57 17.25 2.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.85 -137.07 1.03 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -131.72 119.77 21.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.924 0.393 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -150.53 172.65 30.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.5 tp -76.28 110.89 11.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.884 0.373 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.6 tp -88.2 136.19 33.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.405 ' HB3' ' OG1' ' A' ' 97' ' ' THR . . . -128.21 143.36 51.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.596 HG21 HG21 ' A' ' 82' ' ' VAL . 89.6 t -121.47 142.01 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -142.65 124.03 14.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.645 HD12 ' HB2' ' A' ' 70' ' ' ALA . 93.4 mt -123.43 140.6 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.8 p -141.12 166.14 25.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.09 -176.13 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -54.33 -36.67 64.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -82.19 -25.68 34.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.56 33.31 5.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -96.82 153.24 38.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.64 0.733 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 127.65 14.93 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -113.58 139.96 48.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -55.73 117.38 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.645 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -126.75 129.65 48.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.059 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.7 mt -94.52 134.95 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 97.2 t -106.17 105.53 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.813 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 2.6 t-80 -83.98 133.06 34.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -112.41 117.57 32.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -103.0 -35.47 8.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm 60.56 29.44 19.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -126.65 32.2 5.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.09 24.24 57.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.1 p -152.64 172.52 16.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 111.115 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -150.21 140.4 22.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.813 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -121.82 145.42 48.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.596 HG21 HG21 ' A' ' 58' ' ' VAL . 58.1 t -142.13 124.64 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.7 m -105.1 144.84 31.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.626 ' CE2' HG13 ' A' ' 42' ' ' VAL . 7.8 p90 -148.67 138.88 22.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.433 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 19.5 mt -114.29 99.97 51.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.617 0.723 . . . . 0.0 111.125 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.564 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.75 93.43 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.679 2.252 . . . . 0.0 112.332 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -52.74 -62.22 1.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -95.68 175.4 6.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 46.3 p -106.37 167.19 10.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.171 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 133.92 -128.39 4.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.44 145.51 44.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 110.897 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -130.0 129.97 44.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.2 tpt -108.19 123.93 49.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 36.4 mt -122.63 125.83 73.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.49 105.84 1.59 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.453 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.8 t -94.0 129.44 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.382 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.47 HG22 ' HB3' ' A' ' 102' ' ' ASP . 27.7 p -124.63 143.05 50.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -130.57 126.3 36.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 52.49 43.32 58.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.446 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 64.15 32.4 84.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -148.23 117.46 6.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.827 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.47 ' HB3' HG22 ' A' ' 97' ' ' THR . 0.9 OUTLIER -78.24 141.27 38.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.512 HG22 ' O ' ' A' ' 21' ' ' ALA . 12.1 pt -71.51 155.08 93.03 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.721 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 3.2 2.93 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.655 2.236 . . . . 0.0 112.298 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.504 ' HB2' HD12 ' A' ' 103' ' ' ILE . 62.2 mt -104.29 -24.04 13.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.541 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 4.6 p -83.25 153.65 66.12 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.646 0.736 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.7 Cg_endo -69.73 179.4 22.35 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.346 -0.061 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.5 ' HE1' HD11 ' A' ' 103' ' ' ILE . 29.7 m-85 -109.92 138.38 46.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -101.92 127.79 48.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 15.3 mt -145.35 148.4 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 46.4 mtt85 -123.65 114.46 20.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.01 107.85 12.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.1 t -104.5 147.25 27.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.0 -40.42 3.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 3.9 m 48.79 51.53 15.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -135.38 -115.36 1.49 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.502 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.89 175.23 5.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.895 0.378 . . . . 0.0 110.816 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -162.06 161.05 28.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.766 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -170.21 130.28 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.896 0.379 . . . . 0.0 110.812 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.7 p -169.12 175.82 5.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.841 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.31 151.43 7.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.52 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -172.18 106.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 110.837 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.1 p -149.55 159.43 44.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.56 69.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.5 mtp-105 -149.21 135.24 18.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.4 p -134.46 85.79 36.75 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.692 0.758 . . . . 0.0 110.839 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 168.36 21.72 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.348 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.459 ' O ' ' CG ' ' A' ' 11' ' ' PHE . 10.1 p90 -160.42 121.35 2.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -172.21 162.42 5.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.527 ' O ' HG23 ' A' ' 13' ' ' VAL . 31.5 m -37.91 117.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -70.51 114.92 9.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.0 m -132.38 150.01 32.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.716 ' H ' HD12 ' A' ' 16' ' ' LEU . 4.5 mp -50.24 145.43 10.0 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.605 0.717 . . . . 0.0 110.953 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.56 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 53.3 Cg_endo -69.8 157.52 60.02 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.298 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.2 m -82.17 -27.95 32.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.56 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 4.0 p90 -63.72 151.83 40.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.959 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.08 119.34 8.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.638 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -64.04 -51.04 66.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.9 m -48.73 -29.69 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.586 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 43.7 mmtt -85.85 27.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.5 t -116.56 117.43 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.2 p -127.48 153.99 45.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.69 145.84 45.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 87.7 p -138.72 154.79 48.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.96 179.6 18.44 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 -33.33 17.03 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.276 . . . . 0.0 112.35 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.1 -35.08 67.94 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.0 mt -103.16 23.18 12.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.822 0.344 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.7 t -70.54 116.54 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.8 m -85.87 26.88 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -114.45 -34.13 5.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.27 125.29 1.67 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 111' ' ' ARG . 34.4 m -110.11 148.87 39.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.729 . . . . 0.0 111.102 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 122.26 8.94 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.345 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.439 ' CB ' HG22 ' A' ' 89' ' ' THR . . . -61.01 163.18 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.6 t 40.75 40.79 1.02 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.672 HD22 ' HD2' ' A' ' 41' ' ' PRO . 1.3 tm? -132.9 122.82 17.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.559 0.695 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.672 ' HD2' HD22 ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.72 98.05 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.542 HG13 ' CE2' ' A' ' 84' ' ' TYR . 5.4 p -110.18 149.78 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.07 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -143.0 141.26 31.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.522 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 7.6 p90 -104.62 -178.45 3.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.93 128.51 48.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.3 mt -101.63 104.15 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.173 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.86 120.7 41.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.727 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -109.27 125.29 52.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.053 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -95.56 -56.79 2.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -122.31 24.01 9.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.727 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -88.95 -5.34 58.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 46.85 -147.47 3.13 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -100.26 129.83 46.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.923 0.392 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.598 ' N ' ' CE2' ' A' ' 98' ' ' TYR . . . -158.77 144.6 10.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tt -52.06 111.34 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.6 tp -91.73 144.18 25.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.56 140.14 24.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.844 HG11 HG11 ' A' ' 82' ' ' VAL . 93.5 t -118.94 107.34 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -107.49 106.86 17.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.584 HD12 ' HB2' ' A' ' 70' ' ' ALA . 78.8 mt -108.96 131.72 58.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 p -131.98 169.49 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.05 -175.12 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -55.19 -36.1 65.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -83.16 -25.61 31.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.95 44.02 2.32 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.474 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.3 mmtm -103.25 157.52 33.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.607 0.718 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 132.84 24.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.682 2.254 . . . . 0.0 112.396 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -117.37 158.39 24.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -79.19 120.71 24.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.584 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -129.42 130.41 45.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.8 mt -94.68 142.46 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.1 t -112.53 119.59 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.412 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 2.8 t-80 -106.02 139.74 40.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -113.78 119.01 35.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -102.86 -30.06 11.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm 61.11 27.86 17.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -122.69 28.12 7.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.96 7.29 87.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.521 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.2 p -133.43 170.78 14.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.8 0.333 . . . . 0.0 111.164 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -149.13 136.78 20.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.412 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -113.76 143.64 44.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.844 HG11 HG11 ' A' ' 58' ' ' VAL . 50.6 t -135.06 119.79 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.8 m -100.21 142.28 31.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.566 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 10.0 p90 -150.38 136.79 18.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.8 mt -114.14 99.69 51.19 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.623 0.725 . . . . 0.0 111.135 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.566 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.1 Cg_endo -69.79 110.57 2.59 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.33 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -85.08 -58.47 2.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -85.39 90.77 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.439 HG22 ' CB ' ' A' ' 38' ' ' ALA . 64.1 p -46.82 149.83 0.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.427 ' H ' ' HB3' ' A' ' 112' ' ' ALA . . . 142.89 -146.29 16.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.524 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -78.71 136.75 37.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -132.34 112.5 12.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 38.2 ttm -102.95 131.27 50.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 55.1 mt -125.1 133.99 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -121.63 98.76 0.66 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.467 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.5 t -79.65 151.32 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.955 0.407 . . . . 0.0 111.119 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.8 p -148.52 146.64 28.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.598 ' CE2' ' N ' ' A' ' 54' ' ' GLY . 4.4 t80 -138.71 112.94 8.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 68.16 44.9 74.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.0 30.65 78.11 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.509 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -148.35 121.24 8.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.52 151.91 37.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.638 HG22 ' O ' ' A' ' 21' ' ' ALA . 4.6 pt -82.55 157.11 67.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.68 0.752 . . . . 0.0 111.075 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 4.07 2.4 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.722 2.281 . . . . 0.0 112.302 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.514 ' HB2' HD12 ' A' ' 103' ' ' ILE . 86.2 mt -99.52 -36.32 9.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.541 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 59.1 p -70.83 152.84 95.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.669 0.747 . . . . 0.0 110.846 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.2 Cg_endo -69.8 -176.37 12.57 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.297 0.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -121.9 131.44 54.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -94.09 123.61 37.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 13.0 mt -144.75 147.12 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.499 ' O ' HG22 ' A' ' 36' ' ' VAL . 32.9 mtt-85 -123.05 148.99 44.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.427 ' HB3' ' H ' ' A' ' 90' ' ' GLY . . . -114.81 109.51 18.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.9 t -104.34 147.43 27.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.104 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.93 136.27 47.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.45 HG23 ' N ' ' A' ' 116' ' ' GLY . 10.2 t -130.53 -43.2 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.45 ' N ' HG23 ' A' ' 115' ' ' THR . . . -84.09 126.97 7.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.465 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -89.96 86.87 6.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.351 . . . . 0.0 110.83 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.5 144.12 4.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.764 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m 66.06 41.66 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.907 0.384 . . . . 0.0 110.849 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -77.51 -56.79 4.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.96 -162.48 0.14 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -161.74 150.18 15.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -153.99 164.59 38.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.82 61.76 0.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.12 91.99 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 0.0 110.812 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.42 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 37.5 m -110.62 93.07 15.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.639 0.733 . . . . 0.0 110.879 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.53 ' O ' ' CG ' ' A' ' 11' ' ' PHE . 53.9 Cg_endo -69.72 155.13 66.86 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.667 2.245 . . . . 0.0 112.297 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.53 ' CG ' ' O ' ' A' ' 10' ' ' PRO . 64.1 m-85 -164.43 135.85 4.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -153.19 140.72 19.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.693 HG12 HG13 ' A' ' 15' ' ' VAL . 58.7 t -137.7 145.97 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -90.21 78.55 6.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.693 HG13 HG12 ' A' ' 13' ' ' VAL . 25.7 m -130.64 126.72 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.746 HD23 ' H ' ' A' ' 16' ' ' LEU . 1.4 pt? -54.56 142.52 51.61 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.656 0.741 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.415 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 53.7 Cg_endo -69.72 171.21 14.83 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 89.4 m -105.09 -21.85 13.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.426 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 4.9 p90 -58.64 167.91 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -156.7 133.33 10.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.663 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -76.59 -44.83 32.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.07 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -57.52 -28.5 63.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.533 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 17.5 mmtp -84.46 28.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.8 t -120.87 127.7 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.4 p -136.05 142.81 44.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.17 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.451 ' HB1' HD11 ' A' ' 31' ' ' LEU . . . -119.56 142.58 48.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.9 m -145.19 133.97 22.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.79 -176.45 37.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.452 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -32.57 18.01 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.282 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.455 ' O ' HD13 ' A' ' 110' ' ' ILE . . . -59.47 -29.65 66.88 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.451 HD11 ' HB1' ' A' ' 26' ' ' ALA . 6.7 mt -106.88 27.81 8.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.2 t -73.99 116.26 14.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.9 p -83.62 13.32 4.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -101.25 -29.91 11.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.23 124.6 2.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.1 m -110.72 150.69 42.13 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.576 0.703 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 127.06 14.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.707 2.271 . . . . 0.0 112.356 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.427 ' HB3' ' HB2' ' A' ' 114' ' ' GLN . . . -74.3 142.95 45.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.5 m 63.32 30.04 15.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 40' ' ' LEU . 3.8 mm? -122.78 135.33 25.64 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.667 0.746 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 96.16 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.56 HG13 ' CE2' ' A' ' 84' ' ' TYR . 9.3 p -114.02 143.65 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -143.32 143.53 31.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.546 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 7.9 p90 -105.69 175.54 5.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.33 135.24 55.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.3 mt -110.22 111.36 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.18 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.68 120.97 43.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.76 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -109.86 125.53 52.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -95.32 -56.49 2.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.414 ' HB3' ' HZ3' ' A' ' 23' ' ' LYS . 3.0 t70 -115.27 -7.35 12.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.76 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -57.98 -16.91 14.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.48 -145.28 42.37 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -111.88 137.24 50.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.84 168.0 40.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.8 tp -65.1 105.61 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 110.895 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.9 tp -93.89 140.26 29.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -142.55 148.39 37.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.027 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.684 HG21 HG21 ' A' ' 82' ' ' VAL . 83.9 t -126.24 114.57 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -110.39 111.35 22.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 60.3 mt -112.01 132.76 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 p -136.59 162.16 33.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.29 -179.53 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -50.96 -41.56 59.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -86.63 -25.71 24.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.36 46.8 0.84 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -97.43 152.93 38.49 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.708 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 136.92 34.08 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.337 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.75 131.76 53.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.5 ttm-85 -60.46 122.93 15.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.07 135.7 52.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.054 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.6 mt -106.51 140.91 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 93.7 t -110.17 109.05 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -99.43 115.8 30.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.8 119.87 28.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -99.46 -32.72 10.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt 57.98 29.14 17.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -124.64 29.2 6.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.3 23.87 58.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 39.3 p -151.91 176.75 11.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 111.148 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -152.04 137.94 18.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -114.83 146.32 41.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.684 HG21 HG21 ' A' ' 58' ' ' VAL . 58.3 t -138.53 113.81 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.7 m -96.92 144.95 26.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.566 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 8.4 p90 -151.43 131.59 13.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 74.4 mt -109.24 99.02 34.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.579 0.704 . . . . 0.0 111.148 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.566 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.8 Cg_endo -69.8 98.24 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.636 2.224 . . . . 0.0 112.337 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -64.28 -60.3 3.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.8 mttp -81.31 174.11 11.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.3 p -116.1 142.32 46.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.87 178.58 21.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.49 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.3 ttp-105 -63.02 117.83 7.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -102.83 122.99 45.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 28.6 tpp -100.66 129.25 46.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 53.5 mt -126.81 131.77 70.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -121.07 100.97 0.77 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.4 t -86.8 139.72 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.4 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.8 p -131.79 146.13 51.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -130.36 120.57 24.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.9 46.11 84.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.1 34.72 90.72 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.443 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.41 118.64 5.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.852 0.358 . . . . 0.0 110.834 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.51 144.27 49.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.663 HG22 ' O ' ' A' ' 21' ' ' ALA . 18.8 pt -81.31 153.24 71.42 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.661 0.743 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 5.56 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.539 ' HB2' HD12 ' A' ' 103' ' ' ILE . 94.2 mt -99.81 -32.07 11.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.504 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.6 m -83.28 160.63 59.35 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.68 0.752 . . . . 0.0 110.843 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.7 Cg_endo -69.81 -179.04 18.15 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.341 0.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -120.91 130.0 53.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.82 131.79 43.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.455 HD13 ' O ' ' A' ' 30' ' ' GLY . 10.8 mt -147.2 149.3 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 -124.24 125.6 44.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.65 110.88 21.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.3 p -89.74 123.24 33.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.427 ' HB2' ' HB3' ' A' ' 38' ' ' ALA . 4.7 tp60 -122.45 101.18 7.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 26.2 m -158.2 117.22 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -157.63 133.3 3.48 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -58.43 154.1 14.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -131.0 -58.15 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.7 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.776 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -117.34 103.91 10.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -146.58 175.06 10.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.914 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.34 153.53 7.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -162.57 142.63 9.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -134.57 175.63 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.58 152.41 16.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.3 ttt85 -112.87 85.62 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 m -48.02 158.62 0.54 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 110.879 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -23.33 30.63 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.342 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 44.02 42.71 4.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.93 65.07 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.657 ' CG1' HG22 ' A' ' 15' ' ' VAL . 95.0 t -133.29 142.05 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -132.37 52.48 2.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.657 HG22 ' CG1' ' A' ' 13' ' ' VAL . 32.8 m -133.16 144.52 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.0 mt -56.04 143.72 61.57 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.611 0.719 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 53.2 Cg_endo -69.82 160.58 49.16 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.311 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.8 m -89.05 -26.01 21.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.159 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.438 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 3.6 p90 -67.8 148.42 51.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -148.78 110.83 4.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.712 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -64.63 -44.54 90.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.063 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.5 p -51.31 -33.04 27.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.571 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 8.9 mmmm -87.52 34.79 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.492 ' HB ' HG21 ' A' ' 103' ' ' ILE . 95.5 t -121.73 126.35 74.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.0 p -139.66 148.95 43.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.44 149.37 52.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.111 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.2 m -149.29 148.71 29.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.55 -173.76 24.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -35.73 12.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.721 2.28 . . . . 0.0 112.294 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.44 -29.74 39.63 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.524 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 mt -117.13 27.41 9.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.7 t -62.41 120.66 11.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.5 p -65.8 -36.83 84.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -60.21 -32.01 70.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 134.69 153.77 6.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.486 HG21 ' OH ' ' A' ' 84' ' ' TYR . 27.8 m -116.14 152.38 47.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.628 0.727 . . . . 0.0 111.141 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 127.81 15.09 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.235 . . . . 0.0 112.354 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.412 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -73.28 142.4 47.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.9 m 62.69 27.99 16.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.412 HD23 ' O ' ' A' ' 38' ' ' ALA . 3.9 mm? -124.69 132.07 24.24 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.574 0.702 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 98.49 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.652 2.234 . . . . 0.0 112.371 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.569 HG13 ' CE2' ' A' ' 84' ' ' TYR . 14.8 p -109.47 146.28 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -143.43 143.41 31.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.829 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.506 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 17.4 p90 -112.7 -177.32 3.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.37 127.44 29.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.099 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.5 mt -97.56 103.12 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.083 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -92.46 108.3 19.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.762 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -109.08 125.15 51.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -95.79 -55.8 2.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -121.76 31.36 6.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.762 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -82.45 12.37 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 47.17 -150.94 2.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -121.25 120.48 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.381 . . . . 0.0 110.931 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -149.06 176.74 27.69 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 tt -86.17 105.34 16.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.824 0.345 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.7 tp -76.08 130.47 38.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.477 ' HB3' ' OG1' ' A' ' 97' ' ' THR . . . -122.86 125.56 45.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.2 t -98.54 115.72 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -116.5 110.67 18.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 25.5 mt -121.55 122.17 66.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.184 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.5 p -128.49 156.01 43.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -114.68 -178.69 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -50.86 -22.8 2.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.426 ' HG2' ' CE ' ' A' ' 66' ' ' LYS . 3.3 tp10 -84.97 -25.86 27.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.65 12.84 63.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.426 ' CE ' ' HG2' ' A' ' 64' ' ' GLU . 13.1 ptpt -96.1 153.03 39.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 126.62 13.55 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.711 2.274 . . . . 0.0 112.326 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -97.88 153.82 18.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -66.35 120.6 13.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -130.95 152.41 50.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.6 mt -116.3 142.42 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 p -111.82 131.77 62.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.483 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 51.6 m-70 -120.64 126.15 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -102.78 120.09 39.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -96.89 -21.94 17.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.72 26.08 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -122.53 23.02 9.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 88.45 24.76 32.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.5 p -150.29 171.54 16.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 111.155 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -146.74 135.74 22.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.95 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.483 ' HB3' ' HB2' ' A' ' 73' ' ' HIS . . . -117.2 144.93 44.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.506 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 97.3 t -142.54 120.11 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.6 m -98.0 138.04 35.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.109 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.569 ' CE2' HG13 ' A' ' 42' ' ' VAL . 2.5 p90 -144.04 131.06 20.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 31.4 mt -109.98 103.18 52.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.64 0.733 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.519 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 53.3 Cg_endo -69.77 88.58 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.241 . . . . 0.0 112.342 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -65.71 -40.07 91.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -89.78 168.04 12.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 66.2 p -120.28 137.9 53.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.11 -125.34 2.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -110.98 141.72 44.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.359 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -126.56 125.18 41.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.531 ' HE2' ' HB2' ' A' ' 107' ' ' PRO . 2.3 tpt -104.99 122.21 45.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 77.2 mt -117.14 122.38 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -111.86 95.04 0.78 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.0 t -80.59 108.82 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.921 0.391 . . . . 0.0 111.131 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.477 ' OG1' ' HB3' ' A' ' 57' ' ' ALA . 40.9 p -107.61 142.62 37.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -132.36 118.89 19.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.11 47.6 79.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 60.73 35.87 90.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -152.52 117.34 5.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.489 ' N ' ' OD1' ' A' ' 102' ' ' ASP . 0.2 OUTLIER -77.45 137.79 38.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.712 HG22 ' O ' ' A' ' 21' ' ' ALA . 14.7 pt -70.69 154.52 94.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.565 0.698 . . . . 0.0 111.167 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 2.73 3.26 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.68 2.254 . . . . 0.0 112.396 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.427 ' HB2' HD12 ' A' ' 103' ' ' ILE . 4.2 mm? -102.32 -25.2 13.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.497 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.5 m -90.33 160.92 38.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.635 0.731 . . . . 0.0 110.85 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.531 ' HB2' ' HE2' ' A' ' 93' ' ' MET . 53.5 Cg_endo -69.7 -179.28 18.62 Favored 'Cis proline' 0 C--O 1.231 0.149 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.331 -0.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -117.41 132.58 56.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -96.25 126.31 41.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 40.8 mt -140.39 149.84 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -131.01 126.98 37.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -81.37 112.89 19.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 73.9 p -82.42 101.08 10.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -82.74 127.39 33.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 23.9 m -87.45 -51.52 5.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 162.85 -129.3 2.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -55.22 152.2 8.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -110.06 101.48 10.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 98.7 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.829 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 p -123.8 177.81 5.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.911 0.386 . . . . 0.0 110.821 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -104.99 -61.78 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.86 -158.4 29.38 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -133.89 177.0 8.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -137.16 161.42 36.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.07 -178.34 34.62 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -138.48 174.84 10.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.827 0.346 . . . . 0.0 110.872 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.5 m -126.56 76.14 74.17 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.637 0.732 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 160.3 50.24 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.682 2.255 . . . . 0.0 112.375 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' A' ' 11' ' ' PHE . 2.4 p90 -162.9 146.64 11.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.11 93.83 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.6 m -115.45 121.88 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -98.67 73.88 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.7 m -126.43 176.77 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.48 HD23 ' H ' ' A' ' 16' ' ' LEU . 0.9 OUTLIER -107.42 143.65 27.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.614 0.721 . . . . 0.0 110.893 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.503 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 53.8 Cg_endo -69.78 163.27 38.93 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.667 2.245 . . . . 0.0 112.345 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.1 m -94.68 -20.4 19.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.503 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 6.8 p90 -69.11 147.59 51.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -147.18 114.36 6.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.836 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.16 -45.15 75.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.4 m -49.19 -32.83 11.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.568 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 67.6 mmtt -85.91 32.0 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.8 t -124.6 119.03 55.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.9 p -135.45 157.12 47.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.1 150.47 49.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.03 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.5 m -148.59 137.39 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.36 -173.78 31.4 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.444 ' HB2' HG21 ' A' ' 42' ' ' VAL . 53.4 Cg_endo -69.75 -33.68 16.15 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.658 2.239 . . . . 0.0 112.352 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.1 -32.18 56.62 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.0 mt -115.38 28.41 8.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 t -65.1 120.59 12.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.402 ' HB2' ' NH2' ' A' ' 109' ' ' ARG . 20.5 p -66.18 -36.99 84.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -59.41 -33.22 70.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.949 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.66 157.99 8.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.459 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.413 HG21 ' OH ' ' A' ' 84' ' ' TYR . 31.0 m -119.75 148.95 47.39 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.63 0.729 . . . . 0.0 111.104 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 122.3 8.99 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.715 2.277 . . . . 0.0 112.38 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.0 162.64 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.4 t 42.27 43.16 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.405 HD13 ' N ' ' A' ' 41' ' ' PRO . 0.6 OUTLIER -140.22 117.48 8.15 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.618 0.723 . . . . 0.0 110.914 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.405 ' N ' HD13 ' A' ' 40' ' ' LEU . 54.1 Cg_endo -69.74 98.1 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.712 2.275 . . . . 0.0 112.323 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.444 HG21 ' HB2' ' A' ' 29' ' ' PRO . 4.1 p -108.47 141.86 22.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -128.7 145.64 51.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.543 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 22.3 p90 -111.57 -174.89 2.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.39 125.35 24.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 34.4 mt -94.92 101.46 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.088 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.25 115.56 26.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.768 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -114.0 125.6 54.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 46.3 mtm180 -95.3 -56.61 2.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.15 29.89 6.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.768 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -81.24 14.77 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.08 -150.39 0.31 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.532 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -116.33 124.67 50.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.77 169.66 34.06 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 tt -80.81 106.27 12.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.972 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.425 HD12 ' HD1' ' A' ' 98' ' ' TYR . 6.1 tp -76.39 141.96 41.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.9 141.37 40.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.824 HG21 HG21 ' A' ' 82' ' ' VAL . 89.7 t -126.52 117.54 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -117.57 112.24 20.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.534 HD12 ' HB2' ' A' ' 70' ' ' ALA . 42.4 mt -110.32 140.97 27.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.3 p -141.91 173.17 11.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.169 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.82 -175.66 2.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -52.86 -38.7 61.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -80.38 -23.16 40.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.77 35.7 5.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.467 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -95.48 154.92 39.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.614 0.721 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 132.19 22.78 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -116.9 147.95 41.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -67.69 120.37 13.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.534 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -128.65 124.78 36.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.079 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.4 mt -87.3 145.03 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.9 p -109.69 125.8 66.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.461 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 12.4 t60 -111.88 132.05 54.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -113.14 121.07 43.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -107.19 -32.67 7.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? 61.38 34.85 18.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -128.71 25.91 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 86.02 9.25 77.54 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.0 p -135.83 174.46 10.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.813 0.339 . . . . 0.0 111.113 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -151.71 138.39 18.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.461 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -120.39 137.69 54.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.076 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.824 HG21 HG21 ' A' ' 58' ' ' VAL . 80.9 t -133.63 120.87 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 57.1 m -94.59 144.51 25.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.558 ' CE1' ' HD3' ' A' ' 86' ' ' PRO . 2.5 p90 -152.27 134.57 15.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.431 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 42.2 mt -111.1 102.72 53.56 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.649 0.738 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.558 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 53.9 Cg_endo -69.71 104.54 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -92.3 -52.08 4.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.01 93.62 6.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.481 HG21 ' HB2' ' A' ' 114' ' ' GLN . 26.8 p -48.18 160.93 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.91 -129.6 6.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.89 144.97 31.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.838 0.351 . . . . 0.0 110.82 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.52 ' CE2' ' HB3' ' A' ' 86' ' ' PRO . 22.8 m-85 -128.7 112.57 14.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.75 122.88 42.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.437 ' CD1' HD12 ' A' ' 110' ' ' ILE . 46.2 mt -114.4 122.9 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -110.28 89.38 0.55 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.8 t -80.11 120.15 30.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.888 0.375 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.5 p -117.46 140.96 48.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.425 ' HD1' HD12 ' A' ' 56' ' ' LEU . 5.7 t80 -126.44 127.73 45.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 49.12 45.16 33.85 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.443 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.35 33.41 87.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -148.02 117.25 6.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -66.44 132.72 48.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.6 pt -68.64 150.43 97.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.664 0.745 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 2.77 3.22 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.716 2.278 . . . . 0.0 112.375 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -101.22 -20.8 15.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.507 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.5 m -91.77 160.96 35.11 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.72 0.772 . . . . 0.0 110.836 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.9 Cg_endo -69.74 -179.12 18.25 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.333 -0.044 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -121.79 122.01 38.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.402 ' NH2' ' HB2' ' A' ' 33' ' ' SER . 0.1 OUTLIER -83.89 134.24 34.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.437 HD12 ' CD1' ' A' ' 94' ' ' ILE . 17.4 mt -152.43 147.02 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -132.18 128.77 38.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -82.11 119.94 24.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 67.6 p -82.67 96.51 8.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.481 ' HB2' HG21 ' A' ' 89' ' ' THR . 0.5 OUTLIER -69.08 112.38 5.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 95.3 m -156.98 121.3 4.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.137 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 106.0 173.05 23.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.467 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.9 t70 47.31 42.27 13.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -103.07 110.44 22.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 92.3 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.809 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -159.74 174.77 14.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.91 0.386 . . . . 0.0 110.834 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 m -144.13 178.02 8.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.18 -167.4 11.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.544 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.4 p -161.11 168.93 23.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.868 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 m -148.78 163.97 35.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.82 153.34 19.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -130.84 150.48 51.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.834 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.7 p -133.94 87.06 36.09 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.665 0.745 . . . . 0.0 110.851 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 168.45 21.58 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.718 2.279 . . . . 0.0 112.36 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -60.63 177.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -131.51 41.76 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.6 t -133.37 137.7 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -134.73 122.47 22.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.8 m -127.84 152.79 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.781 ' H ' HD12 ' A' ' 16' ' ' LEU . 4.1 mp -47.22 144.8 4.02 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.642 0.734 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 165.07 32.13 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.257 . . . . 0.0 112.353 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.2 m -98.4 -19.38 17.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -69.07 147.13 51.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -147.43 112.32 5.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.458 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -56.39 -49.12 75.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.477 ' HA ' ' CD ' ' A' ' 104' ' ' PRO . 2.8 m -48.07 -29.77 3.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.428 ' CD ' ' HB3' ' A' ' 50' ' ' ASP . 52.2 mmtt -84.31 26.1 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.5 t -120.54 129.25 75.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.9 p -135.99 156.0 49.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.454 ' HB1' HD11 ' A' ' 31' ' ' LEU . . . -138.28 141.4 39.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.094 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 m -143.11 150.95 40.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.75 -174.1 24.33 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -35.43 12.86 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.256 . . . . 0.0 112.354 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.91 -23.24 63.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.454 HD11 ' HB1' ' A' ' 26' ' ' ALA . 11.3 mt -117.27 23.21 11.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.8 t -65.64 119.66 11.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.7 p -63.63 -32.36 73.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -62.12 -27.53 69.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.43 158.36 9.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.604 HG11 ' OH ' ' A' ' 84' ' ' TYR . 29.6 m -119.86 147.9 45.26 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.606 0.717 . . . . 0.0 111.109 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 119.59 6.51 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.321 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 39' ' ' SER . . . -58.32 165.06 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 38' ' ' ALA . 53.8 m 37.28 38.98 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.579 HD13 ' N ' ' A' ' 41' ' ' PRO . 0.8 OUTLIER -132.66 119.39 16.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 110.911 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.579 ' N ' HD13 ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.77 96.35 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.723 2.282 . . . . 0.0 112.292 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.581 HG13 ' CE1' ' A' ' 84' ' ' TYR . 2.5 p -109.84 152.82 11.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -141.96 144.31 33.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.44 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 4.9 p90 -111.86 -178.33 3.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.61 131.92 52.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.439 ' CD1' HD21 ' A' ' 56' ' ' LEU . 14.4 mt -108.73 111.71 37.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -108.77 120.54 42.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.8 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -106.95 125.72 51.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -95.05 -56.3 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' HB3' ' CD ' ' A' ' 23' ' ' LYS . 7.5 t0 -122.01 25.81 8.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.8 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -82.13 16.5 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.105 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.38 -150.54 0.13 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -104.44 118.71 37.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.473 ' HA3' ' CE2' ' A' ' 98' ' ' TYR . . . -154.98 164.91 32.01 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 tt -90.28 122.75 33.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.439 HD21 ' CD1' ' A' ' 46' ' ' ILE . 7.9 tp -81.97 134.21 35.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -128.3 125.21 38.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.61 HG21 HG21 ' A' ' 82' ' ' VAL . 97.9 t -108.61 130.07 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -128.5 110.89 12.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.603 HD12 ' HB2' ' A' ' 70' ' ' ALA . 29.6 mt -110.3 135.61 48.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.5 p -137.0 163.92 29.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.86 -176.61 3.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -53.26 -38.76 63.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -80.49 -25.58 38.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.35 37.98 4.4 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -97.91 153.37 38.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.568 0.699 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 135.31 30.15 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -118.87 136.15 54.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -60.13 115.52 3.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.603 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -118.78 136.45 53.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 58.1 mt -96.88 136.76 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.1 t -110.13 106.77 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.164 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.855 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 7.0 t60 -86.67 129.9 34.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -109.45 115.69 30.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -103.28 -25.01 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 57.67 31.59 20.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -124.7 28.8 6.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 90.43 -29.8 6.44 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 50.5 p -98.37 176.5 5.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.752 0.31 . . . . 0.0 111.177 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -151.73 134.82 15.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.855 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -109.93 143.29 40.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.08 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.61 HG21 HG21 ' A' ' 58' ' ' VAL . 47.5 t -138.81 119.31 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.1 m -101.05 146.7 27.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.604 ' OH ' HG11 ' A' ' 36' ' ' VAL . 22.5 p90 -151.42 128.55 11.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.425 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 43.8 mt -103.33 96.54 8.56 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.669 0.747 . . . . 0.0 111.181 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 85' ' ' ILE . 53.6 Cg_endo -69.72 95.05 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.701 2.267 . . . . 0.0 112.369 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.17 -64.67 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -69.26 176.29 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 73.4 p -127.55 147.88 50.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 143.83 -136.5 6.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -100.48 127.82 46.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.407 ' HE2' ' HB2' ' A' ' 112' ' ' ALA . 32.0 m-85 -110.04 134.47 52.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 7.6 ttm -118.73 113.5 21.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.637 HD12 HD12 ' A' ' 110' ' ' ILE . 52.3 mt -112.34 120.06 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -107.21 92.31 0.76 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.5 t -82.23 134.17 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.936 0.398 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.686 HG22 ' HA ' ' A' ' 102' ' ' ASP . 25.6 p -135.98 147.89 48.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.473 ' CE2' ' HA3' ' A' ' 54' ' ' GLY . 23.5 t80 -132.81 122.81 25.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.67 39.47 97.95 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.447 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 66.54 30.05 75.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.499 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -144.39 120.34 10.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.686 ' HA ' HG22 ' A' ' 97' ' ' THR . 0.3 OUTLIER -73.58 145.27 45.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.755 HD11 ' HE2' ' A' ' 108' ' ' TYR . 7.0 pt -73.39 155.93 89.33 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.65 0.738 . . . . 0.0 111.119 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.477 ' CD ' ' HA ' ' A' ' 22' ' ' SER . 53.6 Cg_endo -69.76 3.03 3.0 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.702 2.268 . . . . 0.0 112.385 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.501 ' HB2' HD12 ' A' ' 103' ' ' ILE . 3.6 mm? -105.04 -29.26 10.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.545 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 72.5 p -68.33 152.45 96.55 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.677 0.751 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.4 Cg_endo -69.8 -176.67 13.08 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.293 0.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.755 ' HE2' HD11 ' A' ' 103' ' ' ILE . 28.8 m-85 -118.17 115.24 24.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -85.28 118.84 25.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.637 HD12 HD12 ' A' ' 94' ' ' ILE . 6.9 mt -144.15 152.17 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.082 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -124.95 154.27 41.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.407 ' HB2' ' HE2' ' A' ' 92' ' ' TYR . . . -108.51 100.1 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.072 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 63.3 p -71.9 104.75 3.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -69.27 116.31 9.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.2 t -153.07 156.7 39.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.125 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 85.21 107.21 0.67 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.447 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -109.71 121.46 45.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.333 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -43.37 157.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.759 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -145.54 126.27 14.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.858 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -108.95 -61.22 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.31 -174.11 15.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 p -169.54 177.93 4.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.831 0.348 . . . . 0.0 110.854 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -141.76 177.29 8.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.04 169.23 34.14 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.451 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.0 ptt-85 -174.33 153.74 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.7 m -163.56 111.87 0.98 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.653 0.74 . . . . 0.0 110.851 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 178.93 4.12 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -139.6 166.11 25.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -174.3 175.2 2.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.3 t -39.21 125.13 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -129.05 139.24 52.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.0 m -126.58 162.36 31.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 pp -62.07 138.18 95.79 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.584 0.707 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.582 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 53.5 Cg_endo -69.82 153.89 68.14 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.667 2.244 . . . . 0.0 112.355 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.1 m -75.09 -32.75 61.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.582 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 11.0 p90 -65.85 159.38 25.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -150.03 110.94 4.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.625 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -59.49 -46.61 88.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.07 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.3 m -51.31 -31.29 21.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 59.0 mmtt -85.39 28.35 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -115.6 126.64 73.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.8 p -131.42 159.0 39.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.91 147.94 42.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.094 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.8 m -147.27 149.65 33.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.77 -174.7 23.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -37.47 9.21 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.88 -34.74 38.25 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.527 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 mt -111.14 24.52 12.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.4 t -61.22 120.7 10.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.6 t -64.35 -38.16 90.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -59.14 -33.75 71.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.943 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.34 158.51 8.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.455 HG21 ' OH ' ' A' ' 84' ' ' TYR . 35.2 m -117.7 149.08 44.43 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.58 0.705 . . . . 0.0 111.131 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 119.65 6.56 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.84 162.34 2.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.086 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 t 42.08 43.23 2.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.638 HD13 ' HD2' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -141.76 123.26 8.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.567 0.699 . . . . 0.0 110.946 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.638 ' HD2' HD13 ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.75 102.69 1.05 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.738 2.292 . . . . 0.0 112.337 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.581 HG13 ' CE2' ' A' ' 84' ' ' TYR . 9.7 p -114.08 142.96 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -135.2 148.33 49.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 13.0 p90 -112.19 -177.6 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.6 123.63 29.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.6 mt -95.61 101.96 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.6 118.56 33.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.798 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -111.28 125.66 54.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.075 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -95.17 -55.95 2.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -122.1 32.17 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.798 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -93.66 -21.07 19.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.19 -144.12 44.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.435 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -117.64 143.69 45.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.929 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -173.61 154.36 19.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.2 tp -52.66 109.53 0.41 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.858 0.361 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.8 tp -90.85 136.05 33.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.02 146.77 50.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.0 t -123.07 119.62 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.18 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -117.97 109.02 15.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.676 HD12 ' HB2' ' A' ' 70' ' ' ALA . 58.1 mt -115.66 133.84 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.0 p -137.48 170.2 16.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -103.54 173.77 6.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.845 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -44.4 -44.31 8.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -81.67 -24.53 36.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.11 42.54 1.51 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.1 mtmm -97.83 150.21 36.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.559 0.695 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 138.91 39.0 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.386 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -123.74 157.64 33.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -79.73 120.71 24.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.676 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -124.05 138.6 54.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.5 mt -106.35 148.77 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 p -117.76 125.77 74.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -117.49 130.63 56.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.814 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -102.4 121.58 42.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -101.83 -31.63 10.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt 57.77 29.86 18.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -124.57 28.9 6.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.44 24.1 57.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.6 p -150.86 177.92 9.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 111.151 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -151.74 131.26 13.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.15 147.53 32.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.551 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 48.1 t -141.95 117.24 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 17.4 m -98.48 144.29 27.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.581 ' CE2' HG13 ' A' ' 42' ' ' VAL . 5.5 p90 -150.56 136.84 18.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.9 mt -113.69 100.45 52.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.668 0.747 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.563 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 54.0 Cg_endo -69.73 105.75 1.53 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.358 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.07 -55.91 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.889 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -75.7 170.45 16.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 70.2 p -117.62 140.67 49.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.33 -129.18 3.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -112.38 148.53 34.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -129.12 139.95 51.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 50.8 ttm -115.45 117.4 30.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 48.1 mt -110.78 117.94 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -107.59 91.87 0.72 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.542 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 80.8 t -78.92 145.7 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.895 0.378 . . . . 0.0 111.14 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.2 p -144.32 146.06 32.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -132.58 114.2 13.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.14 45.49 80.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.535 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 62.78 35.42 91.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.536 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -143.82 147.52 34.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.81 133.07 43.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.625 HG22 ' O ' ' A' ' 21' ' ' ALA . 14.4 pt -71.8 150.52 93.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.595 0.712 . . . . 0.0 111.131 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 3.38 2.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.369 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.453 ' HB2' HD12 ' A' ' 103' ' ' ILE . 15.2 mt -99.16 -31.14 11.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.507 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.5 m -81.6 160.88 63.35 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.642 0.734 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.6 Cg_endo -69.72 -179.08 18.11 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.343 -0.053 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -119.57 130.21 55.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.0 mtp-105 -98.45 120.35 38.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 111' ' ' ARG . 39.2 mt -134.35 155.17 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.426 ' N ' HG22 ' A' ' 110' ' ' ILE . 16.2 mtp-105 -129.75 117.97 21.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -80.56 98.48 7.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 61.9 p -65.74 111.85 3.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -69.98 169.93 12.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 14.9 t -170.62 149.62 3.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -103.93 104.61 2.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.53 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -123.96 103.48 8.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -166.14 130.69 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.8 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.823 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 m -142.28 176.59 8.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -143.68 168.17 20.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.14 -148.81 0.11 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.1 p -154.76 114.96 3.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.867 0.365 . . . . 0.0 110.825 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -97.79 168.81 10.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.18 110.97 0.87 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -127.84 161.88 27.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.827 0.346 . . . . 0.0 110.907 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.437 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 1.8 m 64.01 54.86 1.6 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.646 0.736 . . . . 0.0 110.861 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 9' ' ' SER . 54.2 Cg_endo -69.68 164.79 33.13 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.708 2.272 . . . . 0.0 112.359 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.541 ' CG ' ' O ' ' A' ' 11' ' ' PHE . 20.9 p90 -69.75 105.81 2.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -148.75 179.83 7.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.0 t -58.54 134.65 23.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.13 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -102.92 114.84 29.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 m -128.79 139.08 52.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.623 HD23 ' H ' ' A' ' 16' ' ' LEU . 2.0 pt? -51.44 139.39 27.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.611 0.72 . . . . 0.0 110.919 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.408 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 53.8 Cg_endo -69.78 158.48 56.8 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.66 2.24 . . . . 0.0 112.336 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.2 m -84.4 -27.82 27.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.408 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 3.0 p90 -69.44 156.93 38.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -151.22 122.92 8.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.24 -49.62 59.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -48.03 -30.59 4.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.442 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 73.8 mmtt -85.55 29.56 0.68 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 69.0 t -116.01 129.82 71.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.4 p -140.21 140.75 35.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.24 151.23 50.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -148.57 162.36 39.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 134.56 -173.03 21.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -35.62 12.16 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.245 . . . . 0.0 112.335 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.46 -30.31 49.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.435 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 mt -116.34 29.18 8.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.855 0.359 . . . . 0.0 110.935 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 t -65.81 116.54 7.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.1 p -61.03 -38.57 86.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -59.92 -34.0 72.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.87 158.53 7.57 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.459 HG11 ' OH ' ' A' ' 84' ' ' TYR . 33.1 m -116.72 150.86 46.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.716 . . . . 0.0 111.147 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 114.83 3.83 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.664 2.242 . . . . 0.0 112.344 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.544 ' HB3' ' HG3' ' A' ' 114' ' ' GLN . . . -57.79 164.94 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 38' ' ' ALA . 7.0 t 35.28 39.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.703 HD13 ' HD2' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -137.47 124.97 14.04 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.601 0.715 . . . . 0.0 110.938 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.703 ' HD2' HD13 ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.75 96.55 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.7 2.266 . . . . 0.0 112.323 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.455 HG13 ' CE2' ' A' ' 84' ' ' TYR . 7.2 p -107.91 140.93 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.143 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -131.45 152.07 51.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.451 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 12.7 p90 -117.83 -178.92 3.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.0 127.29 39.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.3 mt -97.44 103.63 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -95.97 118.94 33.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.801 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -112.6 125.59 54.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -95.28 -55.46 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -122.18 32.19 5.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.801 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -95.33 -20.35 19.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.2 -142.25 42.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -119.61 137.5 53.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.907 0.384 . . . . 0.0 110.902 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.73 162.01 34.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.7 tt -61.67 107.11 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 97' ' ' THR . 50.1 tp -87.63 134.82 33.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.694 ' HB3' ' OG1' ' A' ' 97' ' ' THR . . . -131.2 128.34 39.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.1 t -97.09 131.69 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -134.15 117.13 16.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.706 HD12 ' HB2' ' A' ' 70' ' ' ALA . 47.2 mt -128.87 132.07 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.8 p -135.84 162.39 32.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -94.27 179.83 5.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -52.7 -39.84 62.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -82.84 -24.87 33.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.65 42.39 1.72 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -96.58 152.67 38.73 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.703 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 134.66 28.57 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.66 2.24 . . . . 0.0 112.336 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -126.82 131.67 51.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.2 ttm-85 -73.58 131.91 42.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.706 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -135.95 140.83 44.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.7 mt -84.4 149.51 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.516 ' O ' HG13 ' A' ' 72' ' ' VAL . 7.4 p -122.89 114.78 43.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.679 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 58.2 m-70 -102.46 126.02 49.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -102.3 109.49 21.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -90.77 -28.07 18.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? 58.32 30.12 19.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -124.05 28.63 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 93.32 -30.74 6.92 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.2 p -102.93 176.11 5.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 111.097 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -147.42 140.14 24.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.679 ' HB3' ' HB2' ' A' ' 73' ' ' HIS . . . -111.28 141.02 45.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.066 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.451 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 86.6 t -142.23 120.52 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 92.4 m -100.14 144.54 29.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.459 ' OH ' HG11 ' A' ' 36' ' ' VAL . 3.0 p90 -152.1 129.4 11.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.405 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 60.9 mt -103.6 106.06 50.37 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.662 0.744 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 85' ' ' ILE . 54.0 Cg_endo -69.73 93.11 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.26 . . . . 0.0 112.357 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -78.78 -46.49 18.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -88.24 85.59 6.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 61.9 p -49.41 140.23 10.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 143.54 -128.44 3.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.446 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -99.41 141.37 32.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -133.37 134.96 44.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.48 ' CG ' ' HB2' ' A' ' 107' ' ' PRO . 34.4 ttm -120.9 111.64 17.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 27.4 mt -103.38 132.71 49.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.066 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -117.29 94.84 0.64 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.458 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.7 t -83.04 141.4 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.694 ' OG1' ' HB3' ' A' ' 57' ' ' ALA . 24.9 p -138.92 147.24 42.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -136.81 112.95 9.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.99 44.89 59.57 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 61.84 32.98 83.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.452 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -151.41 117.25 5.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.527 ' CA ' HG22 ' A' ' 97' ' ' THR . 0.3 OUTLIER -71.65 143.29 49.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.461 HD12 HD12 ' A' ' 105' ' ' LEU . 21.4 pt -74.79 154.04 87.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.58 0.705 . . . . 0.0 111.183 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 6.36 1.35 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.461 HD12 HD12 ' A' ' 103' ' ' ILE . 21.0 mt -101.44 -26.34 13.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.523 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 2.1 p -83.91 155.27 64.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.653 0.74 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.76 -176.58 12.88 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.373 -0.064 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -117.71 133.41 55.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -95.6 117.29 30.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 38.9 mt -138.97 149.76 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -126.34 118.75 25.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -81.11 108.46 14.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.5 t -103.35 141.13 36.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.544 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 22.9 tt0 -134.73 104.07 5.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 44.8 p -74.42 -45.17 48.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -112.97 -152.31 11.19 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -143.1 169.57 17.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 0.0 110.826 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -109.91 137.92 47.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.068 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 87.1 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.848 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -166.17 165.02 17.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.887 0.375 . . . . 0.0 110.839 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -168.94 170.47 9.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.12 172.26 35.8 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -157.66 165.63 34.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.0 p -148.69 169.51 20.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.84 -171.47 27.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 -147.61 159.2 44.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 m -123.27 121.81 26.92 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.703 0.763 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 176.99 5.99 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -53.56 175.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -72.46 96.4 1.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.537 HG22 HG13 ' A' ' 15' ' ' VAL . 13.4 p -173.53 126.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 3.6 mppt? -103.68 89.01 3.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.537 HG13 HG22 ' A' ' 13' ' ' VAL . 31.3 m -128.63 161.21 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.12 142.76 90.5 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.568 0.699 . . . . 0.0 110.946 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.588 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 53.9 Cg_endo -69.75 149.63 67.2 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.705 2.27 . . . . 0.0 112.342 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 87.1 m -65.57 -36.73 84.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.588 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 27.3 p90 -68.42 170.06 9.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -154.86 121.8 5.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.01 -49.77 41.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.8 m -48.31 -27.34 2.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.492 ' CE ' ' HB3' ' A' ' 50' ' ' ASP . 21.2 mmmt -88.8 26.97 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 79.0 t -119.74 124.87 73.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.8 p -141.01 163.33 33.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.5 154.03 45.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -147.0 150.39 35.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.69 -173.76 23.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.45 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -36.79 10.05 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.251 . . . . 0.0 112.325 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.87 -33.73 43.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 mt -112.68 27.14 9.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.787 0.327 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.2 t -64.95 123.17 18.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 t -72.76 -35.4 67.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -61.38 -31.79 71.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.24 157.01 7.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.0 m -120.39 151.09 53.15 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 116.3 4.5 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.378 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.12 153.23 26.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.5 t 45.36 41.95 6.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.837 HD22 ' HD2' ' A' ' 41' ' ' PRO . 1.7 tm? -139.68 126.79 12.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.632 0.73 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.837 ' HD2' HD22 ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.8 100.12 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.519 HG13 ' CE2' ' A' ' 84' ' ' TYR . 9.4 p -108.91 145.31 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.27 142.63 41.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.508 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 10.4 p90 -107.98 -178.8 3.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.35 131.93 50.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.3 mt -106.37 106.38 20.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -102.06 121.11 41.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.856 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -110.62 127.75 55.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -94.62 -56.46 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.492 ' HB3' ' CE ' ' A' ' 23' ' ' LYS . 6.6 t0 -122.11 18.86 10.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.856 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -74.08 -28.49 61.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.072 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.33 -146.53 48.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -101.03 120.02 39.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.379 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.504 ' HA3' ' CE2' ' A' ' 98' ' ' TYR . . . -147.67 146.38 16.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 tp -58.41 106.59 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.1 tp -87.59 135.83 33.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.77 143.12 46.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.5 t -112.68 115.21 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.143 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -118.94 107.17 13.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.755 HD12 ' HB2' ' A' ' 70' ' ' ALA . 38.4 mt -117.94 129.76 73.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.14 154.53 50.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -83.91 -178.11 6.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -55.05 -39.23 68.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -86.34 -23.42 26.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.84 45.02 1.06 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.9 mtpt -97.95 150.81 37.14 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.556 0.693 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 135.78 31.37 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.697 2.264 . . . . 0.0 112.377 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.425 ' NZ ' ' HA ' ' A' ' 68' ' ' LYS . 1.4 mmmp? -124.08 129.96 51.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -61.72 116.98 5.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.755 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -119.15 133.47 55.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 54.6 mt -93.24 146.68 6.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.7 t -113.53 118.25 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -106.66 124.69 49.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -103.54 120.57 41.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -103.65 -34.41 8.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm 59.29 30.74 20.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -125.21 29.39 6.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.17 22.76 58.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.5 p -151.12 178.29 9.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.78 0.324 . . . . 0.0 111.165 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -152.1 139.72 19.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -119.83 143.69 47.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.508 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 61.1 t -138.24 129.13 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 87.4 m -109.45 142.59 40.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.175 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.531 ' CE1' ' HD3' ' A' ' 86' ' ' PRO . 4.4 p90 -148.94 137.82 21.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.1 mt -114.39 102.82 55.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.711 . . . . 0.0 111.143 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.531 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 54.2 Cg_endo -69.76 89.86 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.311 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.83 -54.42 45.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.13 138.91 32.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.4 p -75.31 171.03 14.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 124.95 -140.18 12.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -114.34 145.91 41.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.847 0.356 . . . . 0.0 110.847 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.404 ' CE2' ' HB3' ' A' ' 86' ' ' PRO . 32.9 m-85 -125.73 139.72 53.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.949 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 44.0 ttm -115.82 106.92 14.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 48.7 mt -103.08 125.87 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -115.64 96.11 0.73 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.49 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.6 t -80.22 136.8 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 111.12 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.548 HG22 ' HA ' ' A' ' 102' ' ' ASP . 35.9 p -133.03 143.6 49.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.504 ' CE2' ' HA3' ' A' ' 54' ' ' GLY . 4.5 t80 -131.9 115.24 15.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.64 42.89 87.05 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.27 33.07 86.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.437 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -148.54 118.31 7.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.751 0.31 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.548 ' HA ' HG22 ' A' ' 97' ' ' THR . 1.0 OUTLIER -66.99 141.14 57.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.431 HD12 ' HB2' ' A' ' 105' ' ' LEU . 29.6 pt -77.8 152.97 80.58 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.607 0.718 . . . . 0.0 111.151 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 2.26 3.71 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.673 2.248 . . . . 0.0 112.297 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.431 ' HB2' HD12 ' A' ' 103' ' ' ILE . 4.4 mm? -96.74 -25.8 15.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.951 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.511 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.4 m -89.49 160.82 41.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.682 0.753 . . . . 0.0 110.816 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.76 179.91 20.97 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.356 -0.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -118.46 128.71 54.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -95.77 118.08 31.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.2 mt -134.42 148.86 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -127.4 128.77 46.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -86.78 105.02 16.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.6 t -89.98 137.92 31.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -123.29 156.83 34.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.952 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 53.0 p -127.47 143.82 51.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 97.29 156.98 30.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.535 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -104.8 174.58 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -134.8 148.7 50.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 36.7 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.74 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -174.94 177.95 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.92 0.391 . . . . 0.0 110.818 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.7 p -170.17 176.5 4.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.818 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.33 -170.62 28.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 p -160.87 176.1 11.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.856 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -156.38 156.89 34.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.72 -170.35 12.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.428 ' HD3' ' N ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -167.73 178.32 5.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.885 -179.862 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 t -157.4 132.74 5.63 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.65 0.738 . . . . 0.0 110.876 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -171.88 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -140.35 -179.5 6.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.75 38.0 3.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.7 t -151.0 141.16 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -137.85 113.0 9.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.1 m -127.8 171.43 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.714 ' H ' HD12 ' A' ' 16' ' ' LEU . 4.2 mp -51.23 143.44 17.41 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.629 0.728 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.497 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 54.0 Cg_endo -69.78 161.04 47.48 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.725 2.283 . . . . 0.0 112.33 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.0 m -89.47 -26.95 20.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.497 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 3.2 p90 -60.47 157.76 13.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -158.63 120.61 3.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.89 -47.56 65.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.1 p -49.45 -27.75 4.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 37.5 mmtm -88.2 30.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -123.05 118.27 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.1 p -134.6 148.42 50.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -133.72 149.49 51.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.09 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.2 m -147.76 153.3 39.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.74 -172.72 23.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -34.56 14.14 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.723 2.282 . . . . 0.0 112.316 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.504 ' O ' HD13 ' A' ' 110' ' ' ILE . . . -54.66 -28.74 46.99 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.432 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mt -115.58 26.0 10.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.1 t -68.01 112.65 5.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.1 p -59.72 -32.7 70.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -62.45 -28.16 69.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.62 159.31 9.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -120.0 151.81 53.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.624 0.726 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 117.58 5.17 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.25 . . . . 0.0 112.348 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 39' ' ' SER . . . -57.36 163.07 2.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' ALA . 9.9 m 35.55 42.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.605 HD22 ' HD2' ' A' ' 41' ' ' PRO . 0.9 OUTLIER -137.22 125.49 14.64 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.568 0.699 . . . . 0.0 110.942 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.605 ' HD2' HD22 ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.74 99.33 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.694 2.262 . . . . 0.0 112.347 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 p -112.36 145.39 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -139.73 143.26 36.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.576 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 19.1 p90 -106.35 179.79 4.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.73 132.69 51.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 62.3 mt -100.92 111.16 29.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.71 111.66 23.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.631 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -115.36 125.16 52.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -95.07 -55.53 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -122.2 33.4 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.631 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -77.96 10.85 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.077 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 44.98 -143.45 2.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.443 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -127.18 106.99 9.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 110.856 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -142.68 171.02 24.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.444 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.432 ' C ' HD23 ' A' ' 55' ' ' LEU . 7.8 tt -74.83 117.24 16.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 39.5 tp -97.94 142.29 29.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -158.48 142.74 15.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.5 p -111.47 141.66 26.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -123.07 102.33 7.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.6 HD12 ' HB2' ' A' ' 70' ' ' ALA . 65.1 mt -103.82 136.0 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 p -142.09 165.95 26.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -96.0 174.65 6.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -47.63 -40.94 20.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -82.99 -25.75 31.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.28 39.37 1.66 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.3 mttp -86.9 152.17 53.24 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.575 0.702 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 129.18 17.16 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.703 2.269 . . . . 0.0 112.324 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -114.79 147.91 39.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -83.84 110.78 18.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.6 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -111.62 126.82 55.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 30.9 mt -89.99 145.34 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 72' ' ' VAL . 11.1 p -113.93 125.71 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 54.9 t-80 -110.85 138.33 47.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -115.33 116.85 28.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -102.64 -29.56 11.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? 59.73 30.0 19.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -125.82 30.74 5.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.841 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 77.67 26.9 59.97 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.9 p -152.64 173.46 15.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 111.145 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -150.52 139.57 21.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.475 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -119.67 146.13 45.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.046 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.576 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 89.9 t -135.2 123.97 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 81.9 m -104.11 138.39 40.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.433 ' CE1' ' HD3' ' A' ' 86' ' ' PRO . 2.0 p90 -150.9 140.34 21.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 60.4 mt -114.91 106.95 51.02 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.623 0.725 . . . . 0.0 111.115 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.433 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 53.4 Cg_endo -69.74 107.44 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -83.06 -60.06 2.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -79.77 153.89 28.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 80.3 p -103.55 143.55 32.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.02 -128.5 2.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.404 ' HD3' ' N ' ' A' ' 91' ' ' ARG . 1.5 mpp_? -114.21 132.58 56.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.782 0.325 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.04 130.97 57.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.458 ' CE ' ' HB2' ' A' ' 107' ' ' PRO . 2.8 tpt -112.6 119.24 37.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 39.8 mt -118.24 147.19 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.146 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -136.53 102.69 0.41 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.5 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.1 t -82.79 112.31 20.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.89 0.376 . . . . 0.0 111.102 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 33.2 p -108.66 135.23 50.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -124.99 120.55 31.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.7 47.69 83.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 60.5 36.57 91.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.461 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -153.24 117.39 4.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.37 146.26 40.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.496 HD12 ' HB2' ' A' ' 105' ' ' LEU . 3.6 pt -75.11 157.1 85.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.606 0.717 . . . . 0.0 111.145 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -2.31 9.96 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.337 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.496 ' HB2' HD12 ' A' ' 103' ' ' ILE . 19.3 mt -95.55 -38.93 10.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.535 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 12.1 p -65.8 155.18 87.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.681 0.753 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.72 -177.25 14.07 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.372 -0.064 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.469 ' HE1' HD11 ' A' ' 103' ' ' ILE . 48.2 m-85 -118.36 124.8 48.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 18.3 ptt85 -87.55 122.83 31.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.816 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.504 HD13 ' O ' ' A' ' 30' ' ' GLY . 10.8 mt -144.58 146.63 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -141.96 125.74 17.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -80.67 123.63 28.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 75.9 p -92.11 85.86 5.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -83.12 115.22 21.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.1 t -123.79 128.04 48.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -101.93 105.18 2.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -128.7 42.03 3.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.796 0.332 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.55 102.26 3.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.8 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.82 -179.797 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 p -167.83 126.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.357 . . . . 0.0 110.886 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 m -71.72 -47.46 53.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.815 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.35 168.87 15.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.526 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -75.03 -52.02 12.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m 57.42 42.47 24.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.5 179.86 16.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.447 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -137.67 150.07 47.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.351 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.1 m -85.65 141.59 36.39 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.683 0.754 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 125.63 12.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.308 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -64.71 162.35 16.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -74.67 130.42 39.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.447 HG12 ' H ' ' A' ' 15' ' ' VAL . 97.9 t -143.78 138.24 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.41 40.4 3.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.447 ' H ' HG12 ' A' ' 13' ' ' VAL . 35.2 m -136.79 138.88 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -46.49 141.76 4.9 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.47 ' HB2' ' CD1' ' A' ' 19' ' ' TYR . 53.8 Cg_endo -69.81 159.74 52.27 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.7 2.266 . . . . 0.0 112.333 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.6 m -82.78 -27.07 31.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.47 ' CD1' ' HB2' ' A' ' 17' ' ' PRO . 5.5 p90 -73.92 160.11 31.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -151.37 107.44 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.839 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.436 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -49.2 -53.92 19.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.099 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.3 m -47.59 -29.03 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.75 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 61.2 mmtt -84.34 28.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.3 t -118.12 120.89 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.148 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.1 p -130.38 144.26 51.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -125.7 149.72 48.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.9 p -140.57 170.75 15.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 128.52 179.35 15.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -38.47 7.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.306 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.424 ' O ' HD13 ' A' ' 110' ' ' ILE . . . -53.28 -35.04 49.14 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 32' ' ' SER . 33.0 mt -85.56 -18.54 33.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 31' ' ' LEU . 41.8 t -34.09 117.64 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.7 p -74.33 -29.29 61.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -61.17 -31.18 70.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.75 152.45 5.95 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.5 m -117.76 151.92 49.24 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.602 0.715 . . . . 0.0 111.163 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 114.72 3.8 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.676 2.25 . . . . 0.0 112.348 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 39' ' ' SER . . . -59.57 173.31 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 38' ' ' ALA . 2.8 m 34.82 41.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.804 HD22 ' HD2' ' A' ' 41' ' ' PRO . 1.7 tm? -144.68 124.97 7.38 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.639 0.733 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.804 ' HD2' HD22 ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.78 99.31 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.32 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.437 HG13 ' CE2' ' A' ' 84' ' ' TYR . 12.2 p -103.6 139.52 24.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -132.39 135.41 46.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.453 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 21.8 p90 -103.41 179.25 4.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.27 126.23 36.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.5 mt -96.93 112.2 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.434 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.7 OUTLIER -106.94 118.55 36.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.837 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.843 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -109.85 125.66 53.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -95.15 -56.37 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -120.65 26.75 8.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.843 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -84.77 -23.84 29.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.152 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.93 -142.45 38.04 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -116.96 129.68 56.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.93 161.64 32.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.5 tp -56.72 107.63 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.0 tp -97.27 128.2 43.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -130.24 157.5 42.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.959 HG11 HG11 ' A' ' 82' ' ' VAL . 98.9 t -132.31 98.78 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -102.36 108.15 19.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.665 HD12 ' HB2' ' A' ' 70' ' ' ALA . 70.2 mt -109.46 123.42 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.1 p -124.11 162.32 23.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -104.92 -176.0 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -36.83 51.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -79.3 -25.14 42.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.08 31.91 7.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -96.96 153.79 38.44 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.559 0.695 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 132.58 23.62 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.2 mmmm -114.82 150.9 34.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -76.98 122.13 24.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.838 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.665 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -129.06 149.83 50.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.3 mt -105.32 140.46 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 89.8 t -116.64 106.69 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -90.46 143.28 26.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -109.37 119.26 38.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -102.56 -28.93 11.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.99 33.43 21.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -126.04 28.42 6.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.36 5.82 89.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.434 HG22 ' HA ' ' A' ' 47' ' ' ASP . 23.8 p -129.82 176.29 8.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.729 0.299 . . . . 0.0 111.19 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -151.87 134.15 15.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.49 142.12 42.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.959 HG11 HG11 ' A' ' 58' ' ' VAL . 85.1 t -135.75 115.02 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.7 m -92.74 137.87 31.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.437 ' CE2' HG13 ' A' ' 42' ' ' VAL . 1.7 p90 -150.13 132.65 15.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.3 mt -105.03 112.45 65.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.718 . . . . 0.0 111.158 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 81.82 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.662 2.241 . . . . 0.0 112.373 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.07 -47.71 79.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -87.37 173.17 9.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.2 p -128.32 129.46 46.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.121 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 156.42 -121.52 1.09 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.437 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -112.22 127.49 55.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -111.97 125.82 54.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 33.6 tpp -111.53 131.08 55.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 76.8 mt -122.67 115.09 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.58 91.43 1.05 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 88.1 t -84.99 117.92 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 111.105 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.452 HG22 ' OD2' ' A' ' 102' ' ' ASP . 70.5 p -115.39 148.91 38.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -139.66 109.15 6.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.414 ' HA3' ' CE2' ' A' ' 19' ' ' TYR . . . 72.2 44.32 44.36 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 61.93 30.35 75.08 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.457 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -152.87 117.97 5.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.821 0.343 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.452 ' OD2' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.01 143.97 45.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.436 HG22 ' O ' ' A' ' 21' ' ' ALA . 5.3 pt -70.18 157.2 90.45 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.707 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 4.65 2.07 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.733 2.289 . . . . 0.0 112.321 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 73.3 mt -118.89 4.95 11.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.533 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 70.6 p -111.4 152.89 44.22 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.75 -176.07 11.98 Favored 'Cis proline' 0 C--O 1.232 0.179 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.331 -0.048 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -114.58 130.82 56.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 27.1 ptt-85 -87.95 132.73 34.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.424 HD13 ' O ' ' A' ' 30' ' ' GLY . 6.8 mt -153.58 150.34 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -142.63 140.61 31.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -77.84 142.67 38.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.476 ' HB ' HG23 ' A' ' 115' ' ' THR . 75.6 p -71.33 -37.66 71.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.438 ' O ' ' CD ' ' A' ' 114' ' ' GLN . 0.1 OUTLIER 57.83 40.41 26.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.476 HG23 ' HB ' ' A' ' 113' ' ' THR . 72.0 p -87.7 157.86 18.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 137.45 144.88 4.83 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.446 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.35 134.79 44.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.34 111.16 17.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 89.0 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.799 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -132.31 128.18 37.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.871 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.5 p -78.34 176.25 9.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.75 -147.17 7.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 m -157.5 178.44 10.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 p -131.61 -179.87 5.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.83 -160.75 9.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.5 ptt85 -175.0 167.38 3.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.6 p -135.71 135.76 22.46 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.643 0.735 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.536 ' O ' ' CG ' ' A' ' 11' ' ' PHE . 53.5 Cg_endo -69.77 -169.27 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 2.244 . . . . 0.0 112.334 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.536 ' CG ' ' O ' ' A' ' 10' ' ' PRO . 67.7 m-85 -164.44 132.09 3.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -94.52 63.26 2.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.786 HG12 HG22 ' A' ' 15' ' ' VAL . 62.5 t -134.08 116.22 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -102.88 75.28 1.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.786 HG22 HG12 ' A' ' 13' ' ' VAL . 26.6 m -130.49 172.04 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.805 HD23 ' H ' ' A' ' 16' ' ' LEU . 1.3 pt? -75.59 141.74 73.15 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.629 0.728 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.488 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 53.2 Cg_endo -69.78 163.19 39.21 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.3 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.404 ' O ' HG22 ' A' ' 18' ' ' THR . 89.3 m -92.96 -15.28 26.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.488 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 17.6 p90 -82.07 158.97 23.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.961 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -151.03 132.57 14.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.761 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -79.55 -45.13 19.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.2 p -58.47 -21.0 50.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HE2' ' CB ' ' A' ' 50' ' ' ASP . 11.7 mmmt -85.95 7.52 24.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.0 t -105.82 124.36 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.4 p -119.1 159.44 23.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.769 ' HB1' HD11 ' A' ' 31' ' ' LEU . . . -137.74 131.86 31.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.8 m -148.05 147.24 29.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.39 -174.2 24.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -34.36 14.6 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.667 2.245 . . . . 0.0 112.311 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.29 -30.0 60.8 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.769 HD11 ' HB1' ' A' ' 26' ' ' ALA . 14.9 mt -109.37 20.23 18.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.327 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 t -60.5 119.6 8.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 t -68.85 -32.36 71.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -61.04 -32.29 71.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.12 158.36 7.56 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.471 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.9 m -125.35 143.99 46.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 111.148 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 119.14 6.14 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.647 2.231 . . . . 0.0 112.374 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.592 ' HB2' HG22 ' A' ' 89' ' ' THR . . . -62.55 164.49 7.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.4 m 44.76 29.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.728 HD22 ' HD2' ' A' ' 41' ' ' PRO . 1.5 tm? -127.35 124.28 23.59 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.634 0.73 . . . . 0.0 110.952 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.728 ' HD2' HD22 ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.73 98.31 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.39 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.571 HG13 ' CE1' ' A' ' 84' ' ' TYR . 7.1 p -112.83 143.18 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -133.53 148.18 51.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.532 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 1.7 p90 -108.96 172.68 6.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -117.24 135.22 53.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.151 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.2 mt -117.36 98.43 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.36 113.79 25.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.871 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -102.3 125.6 49.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -95.15 -54.16 3.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.832 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.454 ' CB ' ' HE2' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -122.08 19.3 10.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.871 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -71.37 0.28 8.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 54.98 -135.31 47.13 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.514 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -130.15 129.71 43.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.907 0.385 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.43 -168.17 26.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 mp -96.83 140.54 31.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.2 tp -114.93 140.49 48.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.07 147.52 30.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 58' ' ' VAL . 8.0 p -125.23 123.77 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -111.84 108.8 18.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.539 HD12 ' HB2' ' A' ' 70' ' ' ALA . 22.3 mt -106.4 136.3 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.88 163.33 32.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -105.86 173.27 6.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -45.1 -29.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -91.36 -24.08 19.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.467 ' N ' ' OD1' ' A' ' 62' ' ' ASP . . . 96.26 48.35 2.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.505 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -95.23 151.19 38.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.646 0.736 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 130.04 18.71 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -122.88 144.55 49.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -90.81 140.04 30.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.539 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -136.79 133.82 36.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 44.3 mt -76.35 144.54 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.6 t -110.29 110.03 30.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.171 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.691 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 2.0 t-80 -93.17 115.19 27.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.97 111.12 23.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 77' ' ' ASP . 3.2 m120 -99.6 -12.46 20.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 75' ' ' ASN . 0.1 OUTLIER 31.2 38.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 75' ' ' ASN . 88.4 m-20 -126.02 2.21 7.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.76 8.19 11.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.446 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.2 p -144.69 176.86 9.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.798 0.332 . . . . 0.0 111.122 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -151.51 130.54 12.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.691 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -114.34 144.74 42.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.107 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.532 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 96.1 t -137.46 125.67 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.7 m -106.03 146.68 29.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.571 ' CE1' HG13 ' A' ' 42' ' ' VAL . 8.4 p90 -150.15 128.7 12.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.4 mt -106.24 96.33 13.2 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.571 0.701 . . . . 0.0 111.165 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.515 ' HD3' ' CD2' ' A' ' 84' ' ' TYR . 53.2 Cg_endo -69.75 118.7 5.84 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.254 . . . . 0.0 112.344 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -87.97 -63.5 1.29 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -81.45 106.9 13.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.592 HG22 ' HB2' ' A' ' 38' ' ' ALA . 58.5 p -61.09 135.04 57.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 154.44 -172.24 32.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -52.27 122.23 8.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -119.44 114.64 22.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.7 tpp -104.96 119.29 38.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 39.5 mt -109.8 130.28 63.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -115.37 99.0 0.87 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 71.5 t -85.45 127.91 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.388 . . . . 0.0 111.157 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.3 p -124.6 143.06 50.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -136.99 125.51 23.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.457 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . 56.14 33.32 60.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 74.74 26.33 67.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -141.82 127.23 18.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.349 . . . . 0.0 110.825 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.93 126.33 32.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.761 HG22 ' O ' ' A' ' 21' ' ' ALA . 12.1 pt -59.29 155.0 38.65 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.591 0.71 . . . . 0.0 111.172 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -1.54 8.68 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.499 ' HB2' HD12 ' A' ' 103' ' ' ILE . 93.6 mt -93.49 -26.47 17.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.52 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 2.7 p -85.16 154.24 60.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.698 0.761 . . . . 0.0 110.848 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.9 Cg_endo -69.79 -177.66 15.07 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.357 0.009 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.4 ' CD2' HD22 ' A' ' 31' ' ' LEU . 9.0 m-85 -122.07 129.47 52.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -92.48 129.07 38.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 1.8 mt -149.08 149.68 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 43.4 mtt-85 -124.47 116.6 22.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -78.16 111.67 14.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.5 t -111.63 147.56 35.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.9 tm0? -128.74 98.52 5.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 39.8 m -129.69 132.19 46.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 117' ' ' ASP . . . -157.24 47.64 0.47 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.46 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 116' ' ' GLY . 0.4 OUTLIER 37.08 41.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.788 0.327 . . . . 0.0 110.861 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -90.85 -62.16 1.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.762 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 m -114.78 156.08 25.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.886 0.374 . . . . 0.0 110.848 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -163.05 173.46 13.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.59 -171.26 31.75 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p -171.75 176.26 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.915 0.388 . . . . 0.0 110.83 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 p -154.04 174.47 14.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.2 -172.25 28.28 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.5 mmm-85 -146.71 171.26 15.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.9 p -136.84 117.5 10.94 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.64 0.733 . . . . 0.0 110.862 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -172.52 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -163.52 116.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.406 ' HD3' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -146.81 -179.72 6.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.717 HG12 HG13 ' A' ' 15' ' ' VAL . 90.7 t -49.76 131.76 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -68.77 84.1 0.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.717 HG13 HG12 ' A' ' 13' ' ' VAL . 27.5 m -127.51 163.44 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.1 mt -49.85 143.95 10.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.546 0.689 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.437 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 53.5 Cg_endo -69.8 154.44 67.6 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.301 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.3 m -79.18 -29.6 43.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.437 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 3.6 p90 -70.17 155.86 40.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -160.28 119.64 2.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.437 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -69.8 -43.78 71.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.6 p -48.13 -29.68 3.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 35.7 mmtm -90.62 28.4 1.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -117.97 128.6 75.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.9 p -139.67 156.05 47.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -139.64 145.83 38.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.5 m -146.88 143.04 28.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.13 -174.86 28.6 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -37.77 8.87 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.381 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.01 -31.22 39.58 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mt -113.31 24.46 12.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.1 t -60.77 120.74 10.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.3 p -69.34 -35.63 76.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -59.25 -33.21 70.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.05 156.61 6.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.445 HG11 ' OH ' ' A' ' 84' ' ' TYR . 28.7 m -122.56 146.22 47.0 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.614 0.721 . . . . 0.0 111.147 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 117.52 5.13 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.633 2.222 . . . . 0.0 112.392 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.41 153.36 35.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 t 55.14 42.11 30.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.648 HD13 ' HD2' ' A' ' 41' ' ' PRO . 0.4 OUTLIER -143.49 124.69 8.15 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.584 0.707 . . . . 0.0 110.935 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.648 ' HD2' HD13 ' A' ' 40' ' ' LEU . 53.4 Cg_endo -69.75 97.73 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.708 2.272 . . . . 0.0 112.308 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.544 HG13 ' CE2' ' A' ' 84' ' ' TYR . 11.4 p -112.02 151.67 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -140.53 159.48 42.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.475 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 13.6 p90 -125.44 179.54 5.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.69 130.31 48.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.9 mt -100.98 99.85 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -88.48 112.61 23.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.734 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -110.2 125.2 52.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -95.58 -56.86 2.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -122.42 29.69 6.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.734 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -79.52 13.35 2.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 46.79 -128.69 11.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -144.3 112.11 6.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.909 0.385 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -144.66 167.88 26.98 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.8 tp -74.34 110.05 8.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.858 0.361 . . . . 0.0 110.931 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.6 tp -84.88 139.76 31.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.68 147.71 45.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.0 t -119.07 124.69 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -118.57 105.38 11.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.562 HD12 ' HB2' ' A' ' 70' ' ' ALA . 74.8 mt -110.61 137.49 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.3 p -135.79 170.6 15.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.79 -176.56 2.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -52.3 -36.01 51.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -82.68 -25.74 32.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.45 38.16 4.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -100.91 155.27 36.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.565 0.698 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 135.15 29.67 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.329 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -119.06 152.56 36.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -80.31 126.82 31.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.562 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -134.55 139.99 45.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.3 mt -90.44 139.96 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.2 p -110.18 127.41 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.522 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 14.8 t-80 -106.21 134.31 49.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -115.41 111.33 20.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -100.55 -28.7 12.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? 56.8 37.71 28.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -129.2 25.11 5.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 96.03 -22.3 40.33 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.2 p -113.78 174.89 5.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 111.178 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -151.96 137.55 17.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -111.75 148.67 32.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.128 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.475 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 64.4 t -143.85 126.84 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 31.3 m -103.05 143.32 32.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.589 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 9.2 p90 -149.28 127.59 12.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.411 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 54.6 mt -103.14 95.46 6.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.585 0.707 . . . . 0.0 111.127 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.589 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.8 Cg_endo -69.73 104.67 1.35 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -94.17 -50.6 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -75.82 103.94 6.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 81.2 p -64.79 150.43 47.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.89 -129.92 4.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -108.91 122.09 46.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -107.55 131.87 53.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 5.6 ttm -121.16 110.85 16.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 18.7 mt -107.46 120.7 59.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -112.28 102.8 1.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.2 t -84.89 137.87 20.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.869 0.366 . . . . 0.0 111.107 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.504 HG22 ' CG ' ' A' ' 102' ' ' ASP . 25.8 p -128.2 145.32 51.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -135.13 116.26 14.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.434 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . 58.05 49.36 75.93 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.547 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 60.94 32.1 78.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.514 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -151.11 119.03 6.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.504 ' CG ' HG22 ' A' ' 97' ' ' THR . 0.3 OUTLIER -76.61 146.81 37.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.669 HD11 ' HE2' ' A' ' 108' ' ' TYR . 4.8 pt -72.44 156.94 89.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.624 0.726 . . . . 0.0 111.095 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 3.9 2.52 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.673 2.248 . . . . 0.0 112.348 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.474 ' HB2' HD12 ' A' ' 103' ' ' ILE . 4.5 mm? -104.18 -23.31 13.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.537 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 4.5 p -80.19 153.81 74.54 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.709 0.766 . . . . 0.0 110.813 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 106' ' ' SER . 54.3 Cg_endo -69.65 -179.64 19.52 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.388 -0.127 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.669 ' HE2' HD11 ' A' ' 103' ' ' ILE . 39.7 m-85 -117.84 112.6 20.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -85.03 132.75 34.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 111' ' ' ARG . 6.8 mt -154.85 160.94 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.119 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.42 ' N ' HG22 ' A' ' 110' ' ' ILE . 14.5 ttm180 -133.93 131.12 38.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -85.29 98.18 10.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 75.3 p -59.87 103.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -61.21 142.19 56.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 40.3 p -125.33 -57.31 1.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.174 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 161.47 152.85 6.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -158.31 136.93 11.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.823 0.344 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -168.18 176.43 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 87.5 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.776 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.5 p -115.66 -43.66 3.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 110.918 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m -63.55 135.08 56.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.67 54.42 0.3 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.535 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -142.48 135.58 28.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 110.85 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -153.94 164.71 37.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.34 156.97 22.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.5 mmm-85 -139.59 136.11 34.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.1 p -159.26 141.93 10.26 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.729 . . . . 0.0 110.903 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -172.29 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.716 2.277 . . . . 0.0 112.335 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -152.32 139.35 19.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -136.79 160.64 38.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.933 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 m -49.43 117.08 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.99 142.76 34.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' LEU . 31.0 m -88.75 168.81 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 15' ' ' VAL . 14.7 mt -34.91 144.92 0.2 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.574 0.702 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.58 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 54.2 Cg_endo -69.77 153.1 69.28 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.695 2.263 . . . . 0.0 112.354 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.3 m -72.67 -31.69 65.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.58 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 7.9 p90 -67.81 157.56 34.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -144.7 120.93 10.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.465 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -69.59 -51.16 37.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -49.36 -30.87 8.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.552 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 30.4 mmtm -83.91 33.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 54.5 t -117.12 123.77 72.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 p -140.19 144.4 36.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.187 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.19 153.91 43.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.8 m -145.17 149.68 35.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.77 -173.89 24.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.57 ' O ' HG12 ' A' ' 36' ' ' VAL . 54.1 Cg_endo -69.72 -37.15 9.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.344 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.46 -26.68 45.63 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.471 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.3 mt -118.25 25.1 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.4 t -69.66 120.02 14.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.2 t -61.42 -31.67 71.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -64.09 -22.5 66.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.8 158.76 10.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.5 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 29' ' ' PRO . 30.8 m -118.02 150.12 46.77 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.662 0.744 . . . . 0.0 111.12 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 115.23 4.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.45 163.24 5.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 t 39.69 40.06 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.82 HD13 ' HD2' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -139.31 126.43 12.85 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.705 . . . . 0.0 110.923 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.82 ' HD2' HD13 ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.76 97.68 0.65 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.671 2.247 . . . . 0.0 112.367 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.542 HG13 ' CE2' ' A' ' 84' ' ' TYR . 12.0 p -109.27 143.96 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -134.43 136.95 43.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.541 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 11.2 p90 -101.53 -179.28 3.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.85 133.73 52.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.078 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.4 mt -108.09 103.92 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -102.36 119.23 38.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.832 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -108.27 125.49 51.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 83.2 mtm-85 -94.35 -56.26 2.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -121.92 24.87 9.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.832 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -89.61 -14.7 34.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.26 -139.09 48.35 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -120.72 133.15 55.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.907 0.384 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.03 170.6 37.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 tp -65.27 108.81 2.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.851 0.357 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.9 tp -95.62 131.08 42.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.68 134.06 20.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 p -110.26 135.21 49.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -120.73 103.9 9.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.5 mt -96.54 133.74 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.7 p -136.55 167.31 21.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.88 -175.61 2.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -54.18 -36.02 62.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -84.55 -22.8 29.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.64 44.61 3.12 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -92.35 148.45 36.52 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.503 0.668 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 127.87 15.2 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.71 2.274 . . . . 0.0 112.344 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -118.45 159.42 23.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.1 tpp85 -95.91 144.23 26.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.18 143.53 49.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.088 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 57.4 mt -96.27 133.4 37.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.1 p -104.64 126.37 59.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -117.76 128.14 54.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.813 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -98.78 125.7 44.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -108.29 -29.7 8.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.36 31.08 20.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -124.72 29.37 6.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.02 22.52 65.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.4 p -148.62 178.07 8.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 0.0 111.126 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -151.67 133.06 14.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.47 148.09 31.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.541 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 83.9 t -141.95 114.92 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 77.6 m -93.19 143.16 26.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.542 ' CE2' HG13 ' A' ' 42' ' ' VAL . 1.7 p90 -152.55 130.29 11.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.424 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 40.4 mt -107.36 103.86 50.2 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.602 0.715 . . . . 0.0 111.139 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.5 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 53.5 Cg_endo -69.76 120.91 7.62 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.668 2.245 . . . . 0.0 112.345 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -100.41 -57.64 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -81.55 121.25 26.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 32.2 p -72.22 156.36 39.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 133.04 -145.87 17.83 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -96.88 128.4 43.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -109.7 135.21 51.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.481 ' CG ' ' HB2' ' A' ' 107' ' ' PRO . 3.6 ttm -119.74 111.82 18.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 26.0 mt -107.39 134.76 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -123.98 100.24 0.64 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.1 t -85.42 134.86 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.9 0.381 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.587 HG22 ' CG ' ' A' ' 102' ' ' ASP . 40.2 p -125.19 140.35 52.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -130.17 112.98 13.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.515 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . 66.27 47.96 67.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 59.22 32.24 71.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.475 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -153.35 118.14 5.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.329 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.587 ' CG ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -78.37 155.23 30.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.533 HD11 ' HE1' ' A' ' 108' ' ' TYR . 21.6 pt -81.43 154.85 71.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.591 0.71 . . . . 0.0 111.145 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 5.96 1.5 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.673 2.249 . . . . 0.0 112.298 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.472 ' HB2' HD12 ' A' ' 103' ' ' ILE . 48.9 mt -103.14 -26.55 12.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.534 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 8.2 p -77.16 155.36 82.32 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.674 0.75 . . . . 0.0 110.83 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 106' ' ' SER . 54.0 Cg_endo -69.78 -176.92 13.47 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.36 -0.022 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.533 ' HE1' HD11 ' A' ' 103' ' ' ILE . 24.0 m-85 -114.54 119.93 38.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.46 132.38 34.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 22.1 mt -151.16 154.72 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.3 mtp-105 -127.99 121.89 30.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -81.12 103.54 11.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.3 p -76.25 111.07 11.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -81.09 137.56 35.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 15.2 m -127.58 111.33 13.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.93 -60.27 8.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.58 114.54 8.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.773 0.321 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -89.5 171.06 9.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.782 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 93.0 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.765 0.317 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -84.81 173.61 10.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.965 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -168.66 106.67 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.51 -45.96 69.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.0 p -48.22 -31.62 6.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.716 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 34.1 mmtm -89.76 30.47 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 76.4 t -115.98 130.25 71.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.1 p -138.85 158.7 43.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -139.15 146.68 40.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.062 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.6 m -147.96 151.06 35.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.78 -173.81 23.39 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -36.2 11.26 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.664 2.243 . . . . 0.0 112.328 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.5 -25.59 35.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.3 mt -120.2 23.22 11.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.809 0.338 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.3 t -64.84 126.18 27.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 80.1 p -74.17 -31.85 62.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.46 ' C ' ' CD1' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -60.36 -30.84 69.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.86 155.62 7.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.442 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -126.98 148.61 66.38 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.614 0.721 . . . . 0.0 111.129 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 124.33 11.0 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.654 2.236 . . . . 0.0 112.401 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.71 139.17 47.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.5 t 68.53 25.87 6.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -122.43 136.49 26.58 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.711 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 97.58 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.248 . . . . 0.0 112.336 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.747 HG13 ' CE2' ' A' ' 84' ' ' TYR . 13.7 p -110.93 146.49 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -142.79 142.94 31.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.58 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 19.6 p90 -108.01 175.5 5.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.96 138.31 54.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 29.6 mt -112.82 103.43 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.454 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.6 OUTLIER -101.42 115.92 31.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.762 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -106.78 125.63 51.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -95.15 -56.48 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -122.12 19.32 10.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.762 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -81.87 -18.47 43.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.88 -138.01 39.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -117.6 132.64 56.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.666 ' N ' ' CE2' ' A' ' 98' ' ' TYR . . . -160.38 138.64 5.63 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.529 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.1 tp -47.14 108.41 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.359 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.4 tp -87.24 144.41 26.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.48 140.3 20.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.2 p -123.58 140.43 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -133.97 104.4 6.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.2 mt -99.23 124.9 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.8 p -124.17 164.04 20.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.78 175.47 5.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -46.11 -33.29 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -86.75 -25.11 24.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.96 44.77 2.77 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -99.86 151.9 37.63 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.558 0.694 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 131.97 22.34 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.423 ' NZ ' ' OD2' ' A' ' 87' ' ' ASP . 17.2 mmtt -114.25 150.35 34.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -73.58 127.64 33.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -132.34 121.2 23.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.7 mt -90.2 146.91 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 p -111.19 122.75 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -111.76 123.63 50.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -102.04 123.62 46.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -106.57 -24.46 12.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.74 30.91 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -122.86 26.72 8.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.821 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 85.02 14.07 70.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.452 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.454 HG22 ' HA ' ' A' ' 47' ' ' ASP . 56.3 p -144.1 170.34 16.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 111.17 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -143.67 133.01 23.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.33 149.74 28.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.102 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.58 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 99.9 t -145.3 120.83 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 31.6 m -101.77 142.03 33.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.162 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.747 ' CE2' HG13 ' A' ' 42' ' ' VAL . 11.4 p90 -147.94 129.49 14.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.406 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 37.2 mt -105.71 96.25 12.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.59 0.71 . . . . 0.0 111.168 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.567 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 54.1 Cg_endo -69.71 97.32 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.256 . . . . 0.0 112.357 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.423 ' OD2' ' NZ ' ' A' ' 68' ' ' LYS . 2.8 m-20 -74.6 -61.18 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -86.13 97.87 10.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.472 ' OG1' ' N ' ' A' ' 90' ' ' GLY . 0.1 OUTLIER -49.12 172.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.472 ' N ' ' OG1' ' A' ' 89' ' ' THR . . . 126.5 -179.8 16.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -61.23 110.56 1.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -100.98 128.09 47.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 5.0 ttm -115.89 108.72 16.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 52.4 mt -97.79 129.44 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -115.41 91.68 0.56 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.497 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 97.1 t -79.19 145.25 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 111.175 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.581 HG22 ' HA ' ' A' ' 102' ' ' ASP . 27.6 p -145.55 147.11 31.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.666 ' CE2' ' N ' ' A' ' 54' ' ' GLY . 4.5 t80 -133.43 117.82 17.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.55 45.24 96.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.546 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.57 34.5 90.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -149.54 119.85 7.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.581 ' HA ' HG22 ' A' ' 97' ' ' THR . 2.9 p30 -74.8 141.49 44.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.566 HD12 ' HB2' ' A' ' 105' ' ' LEU . 20.3 pt -76.28 153.55 84.17 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.619 0.723 . . . . 0.0 111.114 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 1.28 4.59 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.322 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.566 ' HB2' HD12 ' A' ' 103' ' ' ILE . 66.7 mt -93.59 -33.84 13.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.51 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.5 m -81.41 160.8 64.05 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.69 0.757 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.76 179.95 20.9 Favored 'Cis proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.351 -0.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -120.87 132.68 55.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -100.75 120.74 40.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 15.7 mt -137.01 154.48 31.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.426 ' N ' ' HD2' ' A' ' 111' ' ' ARG . 4.8 mpt_? -123.99 121.76 36.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -82.91 108.23 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 69.2 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.4 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.79 0.329 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -67.04 145.92 54.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.09 110.03 4.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.796 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.524 ' HB2' ' HB3' ' A' ' 98' ' ' TYR . . . -62.18 -42.02 98.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.431 ' HA ' ' CD ' ' A' ' 104' ' ' PRO . 8.7 m -48.32 -29.36 3.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.472 ' CD ' ' HB3' ' A' ' 50' ' ' ASP . 37.3 mmtt -84.65 20.56 1.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 21' ' ' ALA . 95.9 t -114.79 124.07 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.6 p -134.9 149.99 50.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -134.57 151.44 51.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.4 m -148.35 156.56 42.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.15 -173.37 23.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.535 ' O ' HG12 ' A' ' 36' ' ' VAL . 53.8 Cg_endo -69.77 -36.31 11.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.08 -30.21 46.04 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.432 HD22 ' CD2' ' A' ' 108' ' ' TYR . 7.1 mt -114.31 26.16 10.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.7 t -63.96 119.77 10.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.6 p -65.19 -39.29 92.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -59.99 -32.66 71.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.919 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.63 155.9 6.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 29' ' ' PRO . 34.0 m -116.8 148.41 42.0 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.637 0.732 . . . . 0.0 111.155 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 116.2 4.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.646 2.231 . . . . 0.0 112.372 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.74 158.4 30.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.3 m 52.2 37.41 21.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.858 HD22 ' HD2' ' A' ' 41' ' ' PRO . 1.7 tm? -143.03 127.28 9.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.551 0.691 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.858 ' HD2' HD22 ' A' ' 40' ' ' LEU . 54.4 Cg_endo -69.75 98.48 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.264 . . . . 0.0 112.354 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.548 HG13 ' CE2' ' A' ' 84' ' ' TYR . 8.6 p -109.48 143.21 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -135.56 143.51 45.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -108.39 -179.45 3.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.06 127.31 37.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.6 mt -98.28 109.58 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -98.46 116.54 30.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.734 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -112.45 125.69 54.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -95.21 -56.33 2.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.472 ' HB3' ' CD ' ' A' ' 23' ' ' LYS . 3.1 t0 -122.1 29.83 6.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.734 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -79.12 12.31 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 45.37 -128.41 8.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -139.99 122.97 16.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -157.82 169.06 34.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.506 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.6 tp -78.65 115.17 18.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.3 tp -87.01 130.48 34.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.48 ' HB3' ' OG1' ' A' ' 97' ' ' THR . . . -122.25 136.15 54.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.053 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.4 HG21 HG21 ' A' ' 82' ' ' VAL . 97.5 t -114.02 123.28 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -123.32 111.75 16.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.687 HD12 ' HB2' ' A' ' 70' ' ' ALA . 71.7 mt -112.54 127.88 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.8 p -128.97 154.6 46.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -114.64 -175.76 2.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -51.0 -27.81 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -79.49 -25.64 41.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.98 12.47 65.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.463 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -95.48 152.96 39.6 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.59 0.709 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 126.11 12.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.265 . . . . 0.0 112.384 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -92.26 177.91 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -95.09 113.26 24.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.687 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -129.06 150.31 50.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.051 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.428 ' O ' HG13 ' A' ' 82' ' ' VAL . 26.3 mt -104.41 143.57 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 p -111.15 117.41 54.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 4.8 t60 -103.0 122.26 44.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -101.37 112.39 24.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -92.76 -29.34 16.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm 57.46 27.4 13.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -122.13 23.41 9.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.12 -25.17 28.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.515 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.9 p -110.91 176.9 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.778 0.323 . . . . 0.0 111.155 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -149.0 143.74 26.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.517 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -121.37 135.52 55.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' ' 71' ' ' ILE . 61.7 t -132.93 126.02 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.0 m -103.32 139.87 38.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.569 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 7.8 p90 -150.07 127.13 11.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.6 mt -107.93 97.15 19.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.569 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.81 107.92 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.623 2.215 . . . . 0.0 112.346 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.66 -38.47 21.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -92.02 139.48 30.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.0 p -97.15 129.99 44.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 164.29 -125.55 1.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.514 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -110.61 134.72 52.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -124.78 130.43 52.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.8 ttm -119.48 120.63 37.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 18.8 mt -110.74 116.75 53.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -104.11 93.1 0.94 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.402 ' HB ' HD11 ' A' ' 103' ' ' ILE . 85.7 t -81.83 132.48 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.378 . . . . 0.0 111.158 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.48 ' OG1' ' HB3' ' A' ' 57' ' ' ALA . 34.4 p -128.33 148.85 50.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.524 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 4.8 t80 -134.45 118.1 17.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 59.3 42.39 97.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.466 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 67.87 30.98 74.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.19 117.21 7.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.403 ' HA ' HG22 ' A' ' 97' ' ' THR . 0.1 OUTLIER -68.88 132.7 47.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.484 HD12 ' HB2' ' A' ' 105' ' ' LEU . 12.8 pt -65.39 154.87 86.74 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.682 0.753 . . . . 0.0 111.081 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.431 ' CD ' ' HA ' ' A' ' 22' ' ' SER . 54.4 Cg_endo -69.74 2.94 3.07 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.713 2.276 . . . . 0.0 112.366 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.484 ' HB2' HD12 ' A' ' 103' ' ' ILE . 32.6 mt -100.2 -28.23 13.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.532 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 2.5 p -83.56 154.72 65.69 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.684 0.754 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.9 Cg_endo -69.77 -177.39 14.46 Favored 'Cis proline' 0 C--N 1.342 0.221 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.372 0.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.432 ' CD2' HD22 ' A' ' 31' ' ' LEU . 8.2 m-85 -123.21 125.67 45.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -93.1 123.43 36.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 111' ' ' ARG . 22.2 mt -142.57 157.31 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.443 ' N ' HG22 ' A' ' 110' ' ' ILE . 6.2 mpt_? -133.44 126.04 30.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -80.92 110.19 16.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.049 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 80.8 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.7 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.829 0.347 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -61.48 146.94 46.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -144.74 113.11 6.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.49 -46.48 83.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.063 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 m -49.21 -32.26 10.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.902 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.697 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 29.4 mmmt -87.98 33.59 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.0 t -125.8 113.4 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.654 HG22 HD11 ' A' ' 105' ' ' LEU . 64.2 p -124.95 164.14 20.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.53 149.59 39.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 m -147.04 148.76 31.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 144.59 -174.81 24.62 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.449 ' HG2' ' CG2' ' A' ' 42' ' ' VAL . 53.8 Cg_endo -69.74 -37.51 9.13 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.661 2.24 . . . . 0.0 112.374 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.87 -32.1 33.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 mt -109.29 24.9 12.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.82 0.343 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.9 t -63.45 117.52 6.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.0 p -64.32 -36.7 84.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -60.16 -34.19 73.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.41 158.5 8.09 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.55 HG21 ' OH ' ' A' ' 84' ' ' TYR . 32.5 m -118.64 148.53 44.45 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.719 . . . . 0.0 111.14 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 117.17 4.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.321 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.32 160.34 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.7 m 47.33 37.52 6.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.45 HD13 ' N ' ' A' ' 41' ' ' PRO . 0.7 OUTLIER -137.33 118.8 10.92 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.638 0.732 . . . . 0.0 110.898 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.45 ' N ' HD13 ' A' ' 40' ' ' LEU . 54.0 Cg_endo -69.72 97.17 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.376 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.503 HG13 ' CE2' ' A' ' 84' ' ' TYR . 11.4 p -106.85 143.32 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.5 p30 -133.28 145.42 50.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -110.25 -176.04 2.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.04 127.41 36.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.0 mt -97.85 103.28 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -92.97 118.88 31.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.691 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -110.97 124.63 52.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -96.33 -57.12 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.471 ' HB2' ' CE ' ' A' ' 23' ' ' LYS . 4.0 m-20 -122.66 25.61 8.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 23' ' ' LYS . . . -87.35 17.01 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.069 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.27 -131.05 2.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.557 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -137.39 127.92 26.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.953 0.406 . . . . 0.0 110.832 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.45 172.9 33.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.444 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.421 ' C ' HD23 ' A' ' 55' ' ' LEU . 6.7 tt -78.93 111.37 15.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.841 0.353 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 tp -89.04 143.6 26.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -127.03 155.34 43.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.056 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 99.7 t -124.75 117.32 49.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -120.57 111.06 17.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.617 HD12 ' HB2' ' A' ' 70' ' ' ALA . 65.6 mt -119.91 128.67 75.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.0 p -138.5 168.06 20.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.188 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.21 -176.74 2.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -51.29 -36.68 43.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -79.07 -24.29 43.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.34 32.46 7.76 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.538 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -93.55 155.37 40.75 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 147.69 63.32 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.73 2.287 . . . . 0.0 112.282 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -129.92 138.33 50.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -69.3 125.09 25.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.617 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -133.62 152.49 51.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.8 mt -110.26 145.4 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.159 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.0 p -109.93 111.16 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -97.19 111.15 23.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -98.93 126.77 44.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -107.42 -33.45 7.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.69 37.79 22.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -123.81 -13.92 7.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 138.3 -5.08 3.21 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.413 ' C ' ' CD1' ' A' ' 80' ' ' TYR . 24.5 p -137.84 176.3 8.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.769 0.319 . . . . 0.0 111.173 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 79' ' ' THR . 13.7 m-85 -145.92 144.83 30.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.977 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.35 148.85 44.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 84.5 t -143.79 114.14 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.6 m -90.28 145.53 24.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.552 ' CE1' ' HD3' ' A' ' 86' ' ' PRO . 2.3 p90 -151.55 128.21 10.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.4 ' CG1' ' HB3' ' A' ' 41' ' ' PRO . 27.7 mt -105.56 100.37 26.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.646 0.736 . . . . 0.0 111.107 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.552 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 54.1 Cg_endo -69.81 97.73 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -91.57 25.2 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -143.99 160.52 40.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 35.4 p -118.66 129.86 55.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 150.96 -121.62 1.25 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -117.35 129.78 56.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.799 0.333 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -112.56 114.79 27.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -100.25 126.42 46.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 72.0 mt -120.52 128.24 76.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -116.73 93.44 0.59 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.526 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.4 t -81.89 130.55 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.92 0.391 . . . . 0.0 111.12 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 21.2 p -126.54 145.37 50.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -130.85 118.28 20.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 58.06 49.11 78.22 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.531 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 60.6 36.92 92.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.474 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -154.06 118.43 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.353 . . . . 0.0 110.835 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -68.81 139.39 55.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.418 HD12 ' HB2' ' A' ' 105' ' ' LEU . 24.1 pt -71.64 151.91 93.59 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.674 0.75 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.41 2.81 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.654 HD11 HG22 ' A' ' 25' ' ' THR . 33.4 mt -99.24 -26.49 14.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.505 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.3 m -85.32 161.45 51.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.9 Cg_endo -69.75 -179.32 18.81 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.331 -0.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -121.43 130.36 53.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -97.15 122.32 40.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.508 HG22 ' N ' ' A' ' 111' ' ' ARG . 22.6 mt -143.18 161.42 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.508 ' N ' HG22 ' A' ' 110' ' ' ILE . 0.3 OUTLIER -148.01 145.74 28.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -91.3 138.88 31.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.088 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 73.1 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 -179.9 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.771 0.32 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.419 ' CE2' ' HA3' ' A' ' 99' ' ' GLY . 14.1 p90 -69.56 157.78 36.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -146.61 120.19 9.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.592 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -68.56 -44.8 73.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -52.55 -28.58 21.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.817 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -87.69 28.78 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 70.6 t -120.87 129.85 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.4 p -144.01 166.37 25.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.23 154.54 43.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.3 m -148.76 148.73 30.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.37 -173.45 24.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.631 ' O ' HG12 ' A' ' 36' ' ' VAL . 54.1 Cg_endo -69.69 -37.07 9.85 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.713 2.275 . . . . 0.0 112.35 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.81 -29.46 54.82 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 mt -117.35 25.42 10.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.953 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.3 t -67.63 109.77 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 t -52.84 -35.73 57.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -59.84 -32.98 71.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.955 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.31 157.88 7.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 29' ' ' PRO . 26.9 m -120.08 150.38 51.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 111.142 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 115.31 4.03 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.25 . . . . 0.0 112.336 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.58 163.37 5.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.093 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.3 t 41.1 42.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.812 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.684 HD13 ' HD2' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -143.67 124.56 7.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.575 0.702 . . . . 0.0 110.895 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.684 ' HD2' HD13 ' A' ' 40' ' ' LEU . 54.2 Cg_endo -69.71 97.81 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.375 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.682 HG13 ' CE2' ' A' ' 84' ' ' TYR . 9.2 p -107.03 148.07 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -138.06 139.32 39.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.568 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 8.1 p90 -107.35 -176.2 3.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.61 132.24 46.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.2 mt -107.68 110.23 31.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -107.1 120.43 42.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.824 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -108.91 125.69 52.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -94.96 -55.63 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -121.96 32.08 5.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.824 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -93.65 -21.48 19.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.9 -140.08 35.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -121.3 134.55 55.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -163.46 159.18 31.77 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.8 tp -59.25 106.62 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.374 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.3 tp -93.4 140.58 29.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.56 154.63 45.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.081 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.9 t -121.47 123.14 68.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -125.28 112.98 17.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.609 HD12 ' HB2' ' A' ' 70' ' ' ALA . 78.4 mt -116.77 140.91 37.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.0 p -137.61 171.71 14.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.03 -175.17 2.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -53.43 -37.68 62.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -81.33 -25.76 36.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.35 40.77 3.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.445 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -96.53 156.3 36.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.569 0.699 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 127.64 14.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.636 2.224 . . . . 0.0 112.354 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -115.98 141.04 48.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -76.64 132.36 39.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.609 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -133.86 149.23 51.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.9 mt -93.12 149.24 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.17 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.459 ' O ' HG13 ' A' ' 72' ' ' VAL . 14.4 p -124.64 125.08 69.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -116.01 136.2 53.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -111.11 121.62 45.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -103.63 -36.53 7.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? 64.77 36.38 8.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -131.74 30.6 4.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 80.09 22.47 63.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.511 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.3 p -148.6 176.19 10.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 111.085 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -152.04 136.38 16.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -113.38 143.25 44.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.568 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 69.3 t -141.47 127.58 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.7 m -109.38 145.88 35.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.682 ' CE2' HG13 ' A' ' 42' ' ' VAL . 9.2 p90 -151.43 134.26 15.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.417 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 43.1 mt -108.76 96.55 20.31 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.634 0.73 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.569 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.7 Cg_endo -69.75 91.14 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -93.84 33.33 1.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -153.8 127.96 9.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.1 p -78.94 129.83 34.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 153.07 -143.55 10.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -110.57 136.06 50.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.866 0.365 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -114.15 124.38 51.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -105.89 110.43 22.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 45.0 mt -103.17 124.54 57.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.16 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -110.34 91.56 0.63 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 98.3 t -79.01 130.97 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.946 0.403 . . . . 0.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 29.2 p -129.94 145.49 51.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -133.67 119.51 19.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.419 ' HA3' ' CE2' ' A' ' 19' ' ' TYR . . . 59.99 45.14 96.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 62.52 35.05 91.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -150.35 119.78 6.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -75.01 139.61 43.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 21' ' ' ALA . 23.2 pt -74.07 153.7 88.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.589 0.709 . . . . 0.0 111.161 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 3.07 2.97 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.516 ' HB2' HD12 ' A' ' 103' ' ' ILE . 4.2 mm? -95.95 -31.79 12.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.508 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.5 m -83.23 160.92 58.86 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.673 0.749 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 106' ' ' SER . 54.0 Cg_endo -69.78 170.82 56.71 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.322 0.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -110.33 127.69 55.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -97.57 120.37 37.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 30.6 mt -136.05 150.32 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -122.08 117.04 25.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.14 99.21 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 71.2 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 -179.865 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.7 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.793 0.33 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.482 ' CE2' ' HA3' ' A' ' 99' ' ' GLY . 29.5 p90 -77.72 165.17 24.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -149.74 126.86 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.57 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -74.44 -56.22 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.074 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.7 t -51.24 -22.44 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -83.15 20.04 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 68.0 t -116.05 126.85 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.1 p -132.73 132.35 42.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.57 145.25 41.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.2 m -147.53 152.11 37.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.75 -174.12 23.68 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.518 ' O ' HG12 ' A' ' 36' ' ' VAL . 54.0 Cg_endo -69.71 -34.58 14.46 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.661 2.241 . . . . 0.0 112.393 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.77 -19.42 58.45 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mt -121.13 24.47 10.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 0.0 110.937 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.2 t -71.1 111.42 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.7 p -57.26 -29.24 63.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -64.35 -32.61 74.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.9 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.7 157.85 7.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 29' ' ' PRO . 16.1 m -121.58 146.84 46.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.603 0.715 . . . . 0.0 111.123 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 120.24 7.06 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.715 2.277 . . . . 0.0 112.313 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 39' ' ' SER . . . -63.2 171.42 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' ALA . 51.9 m 36.21 37.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.8 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.716 HD22 ' HD2' ' A' ' 41' ' ' PRO . 1.5 tm? -137.69 123.77 13.05 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.63 0.728 . . . . 0.0 110.94 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.716 ' HD2' HD22 ' A' ' 40' ' ' LEU . 53.4 Cg_endo -69.77 98.01 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 p -109.36 144.96 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -138.96 139.21 37.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.442 ' HE2' HD11 ' A' ' 46' ' ' ILE . 30.9 p90 -104.79 -176.41 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.64 133.86 42.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.063 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.442 HD11 ' HE2' ' A' ' 44' ' ' PHE . 36.2 mt -108.42 106.72 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.91 120.08 39.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.972 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -115.06 125.69 53.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -95.05 -52.44 4.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -118.08 28.75 8.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.972 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -89.79 -20.7 23.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.12 -136.69 43.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -120.66 141.25 50.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.28 146.9 10.21 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.466 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 tt -51.55 105.99 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.943 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.9 tp -86.5 136.87 32.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.21 138.69 49.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.9 t -112.46 108.67 26.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -110.02 117.48 33.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.555 HD12 ' HB2' ' A' ' 70' ' ' ALA . 69.6 mt -124.56 130.21 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.9 p -136.19 153.76 51.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.1 p30 -114.62 -175.82 2.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.435 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -52.36 -25.83 10.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.435 ' N ' ' OE1' ' A' ' 63' ' ' GLN . 4.6 tp10 -82.45 -23.51 34.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.81 10.14 73.16 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.6 pttt -91.94 152.87 43.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.524 0.678 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 132.05 22.58 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.691 2.261 . . . . 0.0 112.37 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -104.19 150.04 24.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.2 ttm-85 -71.35 121.08 17.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.555 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -134.35 146.98 50.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.9 mt -98.39 141.52 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.6 p -106.06 119.93 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.862 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 1.8 t60 -99.9 123.38 44.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -114.79 111.4 21.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -92.41 -28.61 16.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? 53.65 32.02 13.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -122.91 -10.37 8.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 129.96 22.81 1.1 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.6 p -152.76 178.02 10.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 111.12 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -152.15 125.31 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.862 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -113.1 148.55 35.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 31.9 t -142.62 121.08 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.5 m -100.39 140.02 35.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -148.72 136.56 20.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.423 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 31.0 mt -108.66 104.45 54.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.585 0.707 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 85' ' ' ILE . 53.7 Cg_endo -69.79 88.14 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.56 -57.86 7.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.814 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -74.08 171.67 13.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 42.8 p -123.6 134.45 53.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.103 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 152.42 -121.71 1.21 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.428 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -114.6 141.11 48.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -125.0 127.47 47.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 50.6 ttm -110.64 126.4 54.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 51.8 mt -122.39 124.85 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -113.07 94.4 0.72 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.9 t -80.62 130.66 35.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 111.145 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.574 HG22 ' HB3' ' A' ' 102' ' ' ASP . 17.7 p -129.07 149.36 50.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -139.87 116.9 11.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.482 ' HA3' ' CE2' ' A' ' 19' ' ' TYR . . . 62.36 44.65 97.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.469 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 64.9 26.58 71.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -141.84 118.84 11.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.574 ' HB3' HG22 ' A' ' 97' ' ' THR . 1.1 p30 -81.93 130.44 35.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.57 HG22 ' O ' ' A' ' 21' ' ' ALA . 13.7 pt -59.56 153.29 51.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 111.162 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 3.01 3.02 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -97.08 -25.01 15.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.529 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 4.9 p -82.92 153.35 67.01 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.684 0.754 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.79 -176.94 13.53 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.317 0.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -119.83 131.98 55.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 29.9 mmm-85 -95.96 121.05 37.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.846 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.3 mt -139.68 151.71 22.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -130.11 131.14 45.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.69 119.97 29.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 80.6 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 -179.88 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.4 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.827 0.346 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.472 ' CE1' ' HA3' ' A' ' 99' ' ' GLY . 18.5 p90 -68.77 176.62 2.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -168.31 132.77 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.439 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -80.71 -45.8 16.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 82.4 p -49.32 -31.88 10.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -88.15 24.65 1.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.2 t -113.36 128.8 69.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.0 p -137.91 160.3 39.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.169 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.46 147.72 40.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.0 p -147.6 151.42 36.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.25 -178.17 21.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -34.93 13.51 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.735 2.29 . . . . 0.0 112.354 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.12 -31.84 56.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.0 mt -108.86 25.11 12.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.818 0.342 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.7 t -65.45 125.27 24.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.3 m -72.01 -35.41 69.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.824 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -61.29 -33.52 73.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.29 154.83 6.46 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.4 m -117.38 151.92 48.66 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.647 0.737 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 116.59 4.63 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.87 161.22 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.086 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t 38.93 45.81 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.729 HD13 ' HD2' ' A' ' 41' ' ' PRO . 0.4 OUTLIER -141.03 128.76 12.15 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.659 0.742 . . . . 0.0 110.927 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.729 ' HD2' HD13 ' A' ' 40' ' ' LEU . 54.1 Cg_endo -69.77 98.4 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.458 HG13 ' CE2' ' A' ' 84' ' ' TYR . 6.8 p -110.66 149.16 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -143.45 147.41 34.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.567 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 13.2 p90 -113.09 -179.84 3.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.57 133.89 50.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.057 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 30.5 mt -108.22 100.09 10.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -95.09 117.91 30.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.796 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -109.97 125.53 52.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -95.29 -55.77 2.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.15 32.27 5.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.796 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -95.63 -23.91 16.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.049 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.47 -140.23 33.28 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -122.46 132.47 54.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.51 173.93 34.28 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.429 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mt -67.01 99.37 0.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.1 tp -85.91 131.17 34.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.88 153.86 50.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.63 HG11 HG11 ' A' ' 82' ' ' VAL . 94.3 t -131.14 104.72 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -106.09 107.21 18.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.8 mt -111.12 131.22 62.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.1 p -136.8 168.98 18.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.0 -178.64 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -51.09 -38.34 51.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -81.79 -25.78 34.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.5 34.63 5.73 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -90.41 153.39 46.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 123.81 10.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.661 2.241 . . . . 0.0 112.351 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -105.79 159.09 16.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.2 ttm-85 -79.02 125.4 29.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.53 124.55 27.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.2 mt -100.19 147.59 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.4 p -115.66 125.74 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -112.46 134.09 54.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.1 117.94 35.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -101.49 -30.84 11.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.31 30.25 19.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -125.33 30.1 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.17 25.91 58.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.3 p -152.14 174.48 13.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.776 0.322 . . . . 0.0 111.162 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -152.06 134.33 15.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.93 145.84 38.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.062 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.63 HG11 HG11 ' A' ' 58' ' ' VAL . 59.9 t -139.39 117.3 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.6 m -98.69 144.16 28.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.571 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 7.0 p90 -150.19 132.67 15.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 62.3 mt -106.29 98.2 18.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.584 0.707 . . . . 0.0 111.16 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.571 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.82 98.44 0.69 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -62.73 -66.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -82.89 164.83 20.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.0 p -110.16 140.61 44.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 157.38 -143.65 9.77 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.3 mtt-85 -90.54 125.11 35.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.794 0.33 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -113.85 120.86 42.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 12.1 tpp -108.16 126.17 52.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 50.0 mt -121.86 141.14 43.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.155 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -123.08 96.59 0.55 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.0 t -84.47 118.58 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.955 0.407 . . . . 0.0 111.112 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.1 p -118.94 144.61 46.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -135.66 114.64 12.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.961 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.472 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . 63.32 46.69 92.26 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 59.99 32.92 76.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -148.2 117.38 6.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.02 139.19 39.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.505 HD12 ' HB2' ' A' ' 105' ' ' LEU . 9.3 pt -71.66 155.38 92.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.634 0.731 . . . . 0.0 111.097 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 2.74 3.24 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.67 2.247 . . . . 0.0 112.376 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.505 ' HB2' HD12 ' A' ' 103' ' ' ILE . 4.6 mm? -101.88 -29.82 11.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.539 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 2.9 p -78.49 154.53 79.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.682 0.753 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 106' ' ' SER . 54.1 Cg_endo -69.71 -177.25 14.07 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.368 -0.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.4 ' HE1' HD11 ' A' ' 103' ' ' ILE . 35.8 m-85 -115.79 125.78 53.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.944 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 44.5 mtt-85 -88.64 122.91 32.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.437 HG22 ' N ' ' A' ' 111' ' ' ARG . 19.8 mt -143.91 157.46 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.437 ' N ' HG22 ' A' ' 110' ' ' ILE . 7.6 ptm180 -144.65 130.76 19.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.08 117.07 26.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.905 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.3 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.782 0.325 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -65.43 147.5 53.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -148.11 108.69 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.512 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -58.4 -41.36 84.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.2 p -52.51 -27.59 17.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.515 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 70.8 mmtt -91.24 33.45 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.933 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.8 t -117.68 122.19 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.4 p -142.12 151.01 41.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.163 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -135.77 152.23 50.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.073 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.9 m -145.74 152.51 39.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.99 -173.15 23.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -35.61 12.4 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.722 2.281 . . . . 0.0 112.324 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.95 -25.27 45.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.7 mt -118.11 20.98 13.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.822 0.344 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.2 t -62.38 117.28 5.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.7 p -67.01 -32.42 73.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -62.69 -30.15 71.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.02 155.51 7.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.448 HG21 ' OH ' ' A' ' 84' ' ' TYR . 17.4 m -122.58 150.77 58.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.602 0.715 . . . . 0.0 111.136 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 114.85 3.84 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.94 166.26 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t 38.58 43.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.822 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.827 HD13 ' HD2' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -141.8 128.0 11.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 0.0 110.897 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.827 ' HD2' HD13 ' A' ' 40' ' ' LEU . 54.0 Cg_endo -69.79 97.42 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.635 2.223 . . . . 0.0 112.332 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.626 HG13 ' CE2' ' A' ' 84' ' ' TYR . 9.2 p -111.6 143.1 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.3 152.13 50.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -117.76 -176.38 3.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.46 127.71 35.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.051 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.3 mt -96.97 101.96 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -90.68 117.15 29.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.725 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -107.93 125.17 51.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -95.73 -57.23 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -122.81 26.2 8.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.725 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -83.57 17.25 2.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.85 -137.07 1.03 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -131.72 119.77 21.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.924 0.393 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -150.53 172.65 30.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.5 tp -76.28 110.89 11.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.884 0.373 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.6 tp -88.2 136.19 33.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.405 ' HB3' ' OG1' ' A' ' 97' ' ' THR . . . -128.21 143.36 51.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.596 HG21 HG21 ' A' ' 82' ' ' VAL . 89.6 t -121.47 142.01 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -142.65 124.03 14.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.645 HD12 ' HB2' ' A' ' 70' ' ' ALA . 93.4 mt -123.43 140.6 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.8 p -141.12 166.14 25.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.09 -176.13 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -54.33 -36.67 64.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -82.19 -25.68 34.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.56 33.31 5.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -96.82 153.24 38.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.64 0.733 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 127.65 14.93 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -113.58 139.96 48.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -55.73 117.38 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.645 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -126.75 129.65 48.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.059 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.7 mt -94.52 134.95 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 97.2 t -106.17 105.53 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.813 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 2.6 t-80 -83.98 133.06 34.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -112.41 117.57 32.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -103.0 -35.47 8.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm 60.56 29.44 19.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -126.65 32.2 5.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.09 24.24 57.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.1 p -152.64 172.52 16.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 111.115 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -150.21 140.4 22.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.813 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -121.82 145.42 48.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.596 HG21 HG21 ' A' ' 58' ' ' VAL . 58.1 t -142.13 124.64 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.7 m -105.1 144.84 31.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.626 ' CE2' HG13 ' A' ' 42' ' ' VAL . 7.8 p90 -148.67 138.88 22.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.433 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 19.5 mt -114.29 99.97 51.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.617 0.723 . . . . 0.0 111.125 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.564 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.75 93.43 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.679 2.252 . . . . 0.0 112.332 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -52.74 -62.22 1.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -95.68 175.4 6.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 46.3 p -106.37 167.19 10.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.171 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 133.92 -128.39 4.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.44 145.51 44.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 110.897 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -130.0 129.97 44.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.2 tpt -108.19 123.93 49.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 36.4 mt -122.63 125.83 73.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.49 105.84 1.59 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.453 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.8 t -94.0 129.44 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.382 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.47 HG22 ' HB3' ' A' ' 102' ' ' ASP . 27.7 p -124.63 143.05 50.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -130.57 126.3 36.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 52.49 43.32 58.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.446 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 64.15 32.4 84.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -148.23 117.46 6.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.827 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.47 ' HB3' HG22 ' A' ' 97' ' ' THR . 0.9 OUTLIER -78.24 141.27 38.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.512 HG22 ' O ' ' A' ' 21' ' ' ALA . 12.1 pt -71.51 155.08 93.03 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.721 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 3.2 2.93 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.655 2.236 . . . . 0.0 112.298 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.504 ' HB2' HD12 ' A' ' 103' ' ' ILE . 62.2 mt -104.29 -24.04 13.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.541 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 4.6 p -83.25 153.65 66.12 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.646 0.736 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.7 Cg_endo -69.73 179.4 22.35 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.346 -0.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.5 ' HE1' HD11 ' A' ' 103' ' ' ILE . 29.7 m-85 -109.92 138.38 46.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -101.92 127.79 48.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 15.3 mt -145.35 148.4 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 46.4 mtt85 -123.65 114.46 20.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.01 107.85 12.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 -179.905 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.2 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.772 0.32 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -63.72 151.83 40.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.959 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.08 119.34 8.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.638 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -64.04 -51.04 66.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.9 m -48.73 -29.69 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.586 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 43.7 mmtt -85.85 27.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.5 t -116.56 117.43 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.2 p -127.48 153.99 45.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.69 145.84 45.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 87.7 p -138.72 154.79 48.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.96 179.6 18.44 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 -33.33 17.03 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.276 . . . . 0.0 112.35 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.1 -35.08 67.94 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.0 mt -103.16 23.18 12.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.822 0.344 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.7 t -70.54 116.54 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.8 m -85.87 26.88 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -114.45 -34.13 5.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.27 125.29 1.67 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 111' ' ' ARG . 34.4 m -110.11 148.87 39.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.729 . . . . 0.0 111.102 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 122.26 8.94 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.345 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.439 ' CB ' HG22 ' A' ' 89' ' ' THR . . . -61.01 163.18 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.6 t 40.75 40.79 1.02 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.672 HD22 ' HD2' ' A' ' 41' ' ' PRO . 1.3 tm? -132.9 122.82 17.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.559 0.695 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.672 ' HD2' HD22 ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.72 98.05 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.542 HG13 ' CE2' ' A' ' 84' ' ' TYR . 5.4 p -110.18 149.78 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.07 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -143.0 141.26 31.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.522 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 7.6 p90 -104.62 -178.45 3.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.93 128.51 48.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.3 mt -101.63 104.15 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.173 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.86 120.7 41.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.727 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -109.27 125.29 52.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.053 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -95.56 -56.79 2.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -122.31 24.01 9.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.727 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -88.95 -5.34 58.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 46.85 -147.47 3.13 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -100.26 129.83 46.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.923 0.392 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.598 ' N ' ' CE2' ' A' ' 98' ' ' TYR . . . -158.77 144.6 10.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tt -52.06 111.34 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.6 tp -91.73 144.18 25.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.56 140.14 24.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.844 HG11 HG11 ' A' ' 82' ' ' VAL . 93.5 t -118.94 107.34 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -107.49 106.86 17.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.584 HD12 ' HB2' ' A' ' 70' ' ' ALA . 78.8 mt -108.96 131.72 58.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 p -131.98 169.49 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.05 -175.12 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -55.19 -36.1 65.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -83.16 -25.61 31.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.95 44.02 2.32 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.474 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.3 mmtm -103.25 157.52 33.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.607 0.718 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 132.84 24.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.682 2.254 . . . . 0.0 112.396 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -117.37 158.39 24.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -79.19 120.71 24.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.584 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -129.42 130.41 45.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.8 mt -94.68 142.46 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.1 t -112.53 119.59 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.412 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 2.8 t-80 -106.02 139.74 40.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -113.78 119.01 35.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -102.86 -30.06 11.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm 61.11 27.86 17.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -122.69 28.12 7.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.96 7.29 87.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.521 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.2 p -133.43 170.78 14.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.8 0.333 . . . . 0.0 111.164 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -149.13 136.78 20.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.412 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -113.76 143.64 44.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.844 HG11 HG11 ' A' ' 58' ' ' VAL . 50.6 t -135.06 119.79 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.8 m -100.21 142.28 31.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.566 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 10.0 p90 -150.38 136.79 18.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.8 mt -114.14 99.69 51.19 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.623 0.725 . . . . 0.0 111.135 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.566 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.1 Cg_endo -69.79 110.57 2.59 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.33 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -85.08 -58.47 2.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -85.39 90.77 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.439 HG22 ' CB ' ' A' ' 38' ' ' ALA . 64.1 p -46.82 149.83 0.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.427 ' H ' ' HB3' ' A' ' 112' ' ' ALA . . . 142.89 -146.29 16.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.524 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -78.71 136.75 37.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -132.34 112.5 12.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 38.2 ttm -102.95 131.27 50.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 55.1 mt -125.1 133.99 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -121.63 98.76 0.66 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.467 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.5 t -79.65 151.32 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.955 0.407 . . . . 0.0 111.119 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.8 p -148.52 146.64 28.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.598 ' CE2' ' N ' ' A' ' 54' ' ' GLY . 4.4 t80 -138.71 112.94 8.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 68.16 44.9 74.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.0 30.65 78.11 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.509 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -148.35 121.24 8.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.52 151.91 37.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.638 HG22 ' O ' ' A' ' 21' ' ' ALA . 4.6 pt -82.55 157.11 67.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.68 0.752 . . . . 0.0 111.075 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 4.07 2.4 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.722 2.281 . . . . 0.0 112.302 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.514 ' HB2' HD12 ' A' ' 103' ' ' ILE . 86.2 mt -99.52 -36.32 9.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.541 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 59.1 p -70.83 152.84 95.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.669 0.747 . . . . 0.0 110.846 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.2 Cg_endo -69.8 -176.37 12.57 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.297 0.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -121.9 131.44 54.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -94.09 123.61 37.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 13.0 mt -144.75 147.12 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.499 ' O ' HG22 ' A' ' 36' ' ' VAL . 32.9 mtt-85 -123.05 148.99 44.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.427 ' HB3' ' H ' ' A' ' 90' ' ' GLY . . . -114.81 109.51 18.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.9 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.104 -179.883 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 89.4 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.773 0.32 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.426 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 4.9 p90 -58.64 167.91 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -156.7 133.33 10.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.663 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -76.59 -44.83 32.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.07 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -57.52 -28.5 63.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.533 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 17.5 mmtp -84.46 28.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.8 t -120.87 127.7 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.4 p -136.05 142.81 44.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.17 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.451 ' HB1' HD11 ' A' ' 31' ' ' LEU . . . -119.56 142.58 48.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.9 m -145.19 133.97 22.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.79 -176.45 37.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.452 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -32.57 18.01 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.282 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.455 ' O ' HD13 ' A' ' 110' ' ' ILE . . . -59.47 -29.65 66.88 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.451 HD11 ' HB1' ' A' ' 26' ' ' ALA . 6.7 mt -106.88 27.81 8.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.2 t -73.99 116.26 14.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.9 p -83.62 13.32 4.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -101.25 -29.91 11.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.23 124.6 2.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.1 m -110.72 150.69 42.13 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.576 0.703 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 127.06 14.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.707 2.271 . . . . 0.0 112.356 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.3 142.95 45.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.5 m 63.32 30.04 15.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 40' ' ' LEU . 3.8 mm? -122.78 135.33 25.64 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.667 0.746 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 96.16 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.56 HG13 ' CE2' ' A' ' 84' ' ' TYR . 9.3 p -114.02 143.65 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -143.32 143.53 31.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.546 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 7.9 p90 -105.69 175.54 5.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.33 135.24 55.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.3 mt -110.22 111.36 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.18 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.68 120.97 43.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.76 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -109.86 125.53 52.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -95.32 -56.49 2.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.414 ' HB3' ' HZ3' ' A' ' 23' ' ' LYS . 3.0 t70 -115.27 -7.35 12.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.76 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -57.98 -16.91 14.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.48 -145.28 42.37 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -111.88 137.24 50.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.84 168.0 40.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.8 tp -65.1 105.61 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 110.895 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.9 tp -93.89 140.26 29.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -142.55 148.39 37.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.027 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.684 HG21 HG21 ' A' ' 82' ' ' VAL . 83.9 t -126.24 114.57 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -110.39 111.35 22.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 60.3 mt -112.01 132.76 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 p -136.59 162.16 33.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.29 -179.53 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -50.96 -41.56 59.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -86.63 -25.71 24.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.36 46.8 0.84 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -97.43 152.93 38.49 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.708 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 136.92 34.08 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.337 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.75 131.76 53.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.5 ttm-85 -60.46 122.93 15.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.07 135.7 52.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.054 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.6 mt -106.51 140.91 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 93.7 t -110.17 109.05 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -99.43 115.8 30.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.8 119.87 28.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -99.46 -32.72 10.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt 57.98 29.14 17.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -124.64 29.2 6.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.3 23.87 58.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 39.3 p -151.91 176.75 11.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 111.148 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -152.04 137.94 18.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -114.83 146.32 41.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.684 HG21 HG21 ' A' ' 58' ' ' VAL . 58.3 t -138.53 113.81 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.7 m -96.92 144.95 26.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.566 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 8.4 p90 -151.43 131.59 13.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 74.4 mt -109.24 99.02 34.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.579 0.704 . . . . 0.0 111.148 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.566 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.8 Cg_endo -69.8 98.24 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.636 2.224 . . . . 0.0 112.337 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -64.28 -60.3 3.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.8 mttp -81.31 174.11 11.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.3 p -116.1 142.32 46.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.87 178.58 21.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.49 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.3 ttp-105 -63.02 117.83 7.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -102.83 122.99 45.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 28.6 tpp -100.66 129.25 46.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 53.5 mt -126.81 131.77 70.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -121.07 100.97 0.77 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.4 t -86.8 139.72 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.4 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.8 p -131.79 146.13 51.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -130.36 120.57 24.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.9 46.11 84.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.1 34.72 90.72 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.443 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.41 118.64 5.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.852 0.358 . . . . 0.0 110.834 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.51 144.27 49.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.663 HG22 ' O ' ' A' ' 21' ' ' ALA . 18.8 pt -81.31 153.24 71.42 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.661 0.743 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 5.56 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.539 ' HB2' HD12 ' A' ' 103' ' ' ILE . 94.2 mt -99.81 -32.07 11.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.504 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.6 m -83.28 160.63 59.35 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.68 0.752 . . . . 0.0 110.843 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.7 Cg_endo -69.81 -179.04 18.15 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.341 0.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -120.91 130.0 53.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.82 131.79 43.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.455 HD13 ' O ' ' A' ' 30' ' ' GLY . 10.8 mt -147.2 149.3 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 -124.24 125.6 44.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.65 110.88 21.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.3 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 -179.91 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.8 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.813 0.34 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -67.8 148.42 51.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -148.78 110.83 4.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.712 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -64.63 -44.54 90.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.063 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.5 p -51.31 -33.04 27.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.571 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 8.9 mmmm -87.52 34.79 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.492 ' HB ' HG21 ' A' ' 103' ' ' ILE . 95.5 t -121.73 126.35 74.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.0 p -139.66 148.95 43.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.44 149.37 52.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.111 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.2 m -149.29 148.71 29.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.55 -173.76 24.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -35.73 12.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.721 2.28 . . . . 0.0 112.294 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.44 -29.74 39.63 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.524 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 mt -117.13 27.41 9.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.7 t -62.41 120.66 11.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.5 p -65.8 -36.83 84.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -60.21 -32.01 70.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 134.69 153.77 6.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.486 HG21 ' OH ' ' A' ' 84' ' ' TYR . 27.8 m -116.14 152.38 47.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.628 0.727 . . . . 0.0 111.141 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 127.81 15.09 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.235 . . . . 0.0 112.354 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.412 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -73.28 142.4 47.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.9 m 62.69 27.99 16.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.412 HD23 ' O ' ' A' ' 38' ' ' ALA . 3.9 mm? -124.69 132.07 24.24 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.574 0.702 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 98.49 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.652 2.234 . . . . 0.0 112.371 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.569 HG13 ' CE2' ' A' ' 84' ' ' TYR . 14.8 p -109.47 146.28 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -143.43 143.41 31.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.829 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.506 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 17.4 p90 -112.7 -177.32 3.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.37 127.44 29.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.099 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.5 mt -97.56 103.12 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.083 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -92.46 108.3 19.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.762 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -109.08 125.15 51.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -95.79 -55.8 2.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -121.76 31.36 6.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.762 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -82.45 12.37 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 47.17 -150.94 2.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -121.25 120.48 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.381 . . . . 0.0 110.931 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -149.06 176.74 27.69 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 tt -86.17 105.34 16.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.824 0.345 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.7 tp -76.08 130.47 38.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.477 ' HB3' ' OG1' ' A' ' 97' ' ' THR . . . -122.86 125.56 45.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.2 t -98.54 115.72 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -116.5 110.67 18.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 25.5 mt -121.55 122.17 66.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.184 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.5 p -128.49 156.01 43.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -114.68 -178.69 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -50.86 -22.8 2.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.426 ' HG2' ' CE ' ' A' ' 66' ' ' LYS . 3.3 tp10 -84.97 -25.86 27.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.65 12.84 63.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.426 ' CE ' ' HG2' ' A' ' 64' ' ' GLU . 13.1 ptpt -96.1 153.03 39.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 126.62 13.55 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.711 2.274 . . . . 0.0 112.326 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -97.88 153.82 18.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -66.35 120.6 13.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -130.95 152.41 50.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.6 mt -116.3 142.42 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 p -111.82 131.77 62.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.483 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 51.6 m-70 -120.64 126.15 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -102.78 120.09 39.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -96.89 -21.94 17.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.72 26.08 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -122.53 23.02 9.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 88.45 24.76 32.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.5 p -150.29 171.54 16.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 111.155 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -146.74 135.74 22.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.95 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.483 ' HB3' ' HB2' ' A' ' 73' ' ' HIS . . . -117.2 144.93 44.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.506 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 97.3 t -142.54 120.11 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.6 m -98.0 138.04 35.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.109 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.569 ' CE2' HG13 ' A' ' 42' ' ' VAL . 2.5 p90 -144.04 131.06 20.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 31.4 mt -109.98 103.18 52.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.64 0.733 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.519 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 53.3 Cg_endo -69.77 88.58 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.241 . . . . 0.0 112.342 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -65.71 -40.07 91.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -89.78 168.04 12.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 66.2 p -120.28 137.9 53.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.11 -125.34 2.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -110.98 141.72 44.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.359 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -126.56 125.18 41.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.531 ' HE2' ' HB2' ' A' ' 107' ' ' PRO . 2.3 tpt -104.99 122.21 45.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 77.2 mt -117.14 122.38 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -111.86 95.04 0.78 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.0 t -80.59 108.82 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.921 0.391 . . . . 0.0 111.131 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.477 ' OG1' ' HB3' ' A' ' 57' ' ' ALA . 40.9 p -107.61 142.62 37.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -132.36 118.89 19.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.11 47.6 79.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 60.73 35.87 90.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -152.52 117.34 5.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.489 ' N ' ' OD1' ' A' ' 102' ' ' ASP . 0.2 OUTLIER -77.45 137.79 38.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.712 HG22 ' O ' ' A' ' 21' ' ' ALA . 14.7 pt -70.69 154.52 94.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.565 0.698 . . . . 0.0 111.167 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 2.73 3.26 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.68 2.254 . . . . 0.0 112.396 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.427 ' HB2' HD12 ' A' ' 103' ' ' ILE . 4.2 mm? -102.32 -25.2 13.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.497 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.5 m -90.33 160.92 38.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.635 0.731 . . . . 0.0 110.85 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.531 ' HB2' ' HE2' ' A' ' 93' ' ' MET . 53.5 Cg_endo -69.7 -179.28 18.62 Favored 'Cis proline' 0 C--O 1.231 0.149 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.331 -0.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -117.41 132.58 56.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -96.25 126.31 41.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 40.8 mt -140.39 149.84 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -131.01 126.98 37.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -81.37 112.89 19.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 73.9 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 -179.93 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.1 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.798 0.332 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -69.11 147.59 51.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -147.18 114.36 6.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.836 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.16 -45.15 75.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.4 m -49.19 -32.83 11.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.568 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 67.6 mmtt -85.91 32.0 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.8 t -124.6 119.03 55.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.9 p -135.45 157.12 47.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.1 150.47 49.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.03 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.5 m -148.59 137.39 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.36 -173.78 31.4 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.444 ' HB2' HG21 ' A' ' 42' ' ' VAL . 53.4 Cg_endo -69.75 -33.68 16.15 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.658 2.239 . . . . 0.0 112.352 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.1 -32.18 56.62 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.0 mt -115.38 28.41 8.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 t -65.1 120.59 12.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.402 ' HB2' ' NH2' ' A' ' 109' ' ' ARG . 20.5 p -66.18 -36.99 84.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -59.41 -33.22 70.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.949 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.66 157.99 8.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.459 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.413 HG21 ' OH ' ' A' ' 84' ' ' TYR . 31.0 m -119.75 148.95 47.39 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.63 0.729 . . . . 0.0 111.104 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 122.3 8.99 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.715 2.277 . . . . 0.0 112.38 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.0 162.64 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.4 t 42.27 43.16 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.405 HD13 ' N ' ' A' ' 41' ' ' PRO . 0.6 OUTLIER -140.22 117.48 8.15 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.618 0.723 . . . . 0.0 110.914 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.405 ' N ' HD13 ' A' ' 40' ' ' LEU . 54.1 Cg_endo -69.74 98.1 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.712 2.275 . . . . 0.0 112.323 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.444 HG21 ' HB2' ' A' ' 29' ' ' PRO . 4.1 p -108.47 141.86 22.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -128.7 145.64 51.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.543 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 22.3 p90 -111.57 -174.89 2.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.39 125.35 24.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 34.4 mt -94.92 101.46 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.088 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.25 115.56 26.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.768 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -114.0 125.6 54.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 46.3 mtm180 -95.3 -56.61 2.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.15 29.89 6.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.768 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -81.24 14.77 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.08 -150.39 0.31 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.532 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -116.33 124.67 50.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.77 169.66 34.06 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 tt -80.81 106.27 12.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.972 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.425 HD12 ' HD1' ' A' ' 98' ' ' TYR . 6.1 tp -76.39 141.96 41.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.9 141.37 40.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.824 HG21 HG21 ' A' ' 82' ' ' VAL . 89.7 t -126.52 117.54 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -117.57 112.24 20.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.534 HD12 ' HB2' ' A' ' 70' ' ' ALA . 42.4 mt -110.32 140.97 27.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.3 p -141.91 173.17 11.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.169 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.82 -175.66 2.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -52.86 -38.7 61.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -80.38 -23.16 40.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.77 35.7 5.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.467 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -95.48 154.92 39.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.614 0.721 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 132.19 22.78 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -116.9 147.95 41.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -67.69 120.37 13.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.534 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -128.65 124.78 36.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.079 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.4 mt -87.3 145.03 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.9 p -109.69 125.8 66.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.461 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 12.4 t60 -111.88 132.05 54.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -113.14 121.07 43.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -107.19 -32.67 7.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? 61.38 34.85 18.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -128.71 25.91 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 86.02 9.25 77.54 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.0 p -135.83 174.46 10.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.813 0.339 . . . . 0.0 111.113 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -151.71 138.39 18.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.461 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -120.39 137.69 54.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.076 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.824 HG21 HG21 ' A' ' 58' ' ' VAL . 80.9 t -133.63 120.87 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 57.1 m -94.59 144.51 25.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.558 ' CE1' ' HD3' ' A' ' 86' ' ' PRO . 2.5 p90 -152.27 134.57 15.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.431 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 42.2 mt -111.1 102.72 53.56 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.649 0.738 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.558 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 53.9 Cg_endo -69.71 104.54 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -92.3 -52.08 4.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.01 93.62 6.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.8 p -48.18 160.93 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.91 -129.6 6.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.89 144.97 31.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.838 0.351 . . . . 0.0 110.82 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.52 ' CE2' ' HB3' ' A' ' 86' ' ' PRO . 22.8 m-85 -128.7 112.57 14.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.75 122.88 42.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.437 ' CD1' HD12 ' A' ' 110' ' ' ILE . 46.2 mt -114.4 122.9 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -110.28 89.38 0.55 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.8 t -80.11 120.15 30.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.888 0.375 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.5 p -117.46 140.96 48.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.425 ' HD1' HD12 ' A' ' 56' ' ' LEU . 5.7 t80 -126.44 127.73 45.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 49.12 45.16 33.85 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.443 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.35 33.41 87.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -148.02 117.25 6.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -66.44 132.72 48.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.6 pt -68.64 150.43 97.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.664 0.745 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 2.77 3.22 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.716 2.278 . . . . 0.0 112.375 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -101.22 -20.8 15.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.507 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.5 m -91.77 160.96 35.11 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.72 0.772 . . . . 0.0 110.836 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.9 Cg_endo -69.74 -179.12 18.25 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.333 -0.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -121.79 122.01 38.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.402 ' NH2' ' HB2' ' A' ' 33' ' ' SER . 0.1 OUTLIER -83.89 134.24 34.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.437 HD12 ' CD1' ' A' ' 94' ' ' ILE . 17.4 mt -152.43 147.02 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -132.18 128.77 38.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -82.11 119.94 24.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 67.6 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 -179.908 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.2 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.78 0.324 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -69.07 147.13 51.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -147.43 112.32 5.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.458 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -56.39 -49.12 75.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.477 ' HA ' ' CD ' ' A' ' 104' ' ' PRO . 2.8 m -48.07 -29.77 3.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.428 ' CD ' ' HB3' ' A' ' 50' ' ' ASP . 52.2 mmtt -84.31 26.1 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.5 t -120.54 129.25 75.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.9 p -135.99 156.0 49.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.454 ' HB1' HD11 ' A' ' 31' ' ' LEU . . . -138.28 141.4 39.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.094 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 m -143.11 150.95 40.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.75 -174.1 24.33 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -35.43 12.86 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.256 . . . . 0.0 112.354 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.91 -23.24 63.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.454 HD11 ' HB1' ' A' ' 26' ' ' ALA . 11.3 mt -117.27 23.21 11.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.8 t -65.64 119.66 11.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.7 p -63.63 -32.36 73.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -62.12 -27.53 69.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.43 158.36 9.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.604 HG11 ' OH ' ' A' ' 84' ' ' TYR . 29.6 m -119.86 147.9 45.26 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.606 0.717 . . . . 0.0 111.109 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 119.59 6.51 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.321 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 39' ' ' SER . . . -58.32 165.06 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 38' ' ' ALA . 53.8 m 37.28 38.98 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.579 HD13 ' N ' ' A' ' 41' ' ' PRO . 0.8 OUTLIER -132.66 119.39 16.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 110.911 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.579 ' N ' HD13 ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.77 96.35 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.723 2.282 . . . . 0.0 112.292 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.581 HG13 ' CE1' ' A' ' 84' ' ' TYR . 2.5 p -109.84 152.82 11.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -141.96 144.31 33.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.44 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 4.9 p90 -111.86 -178.33 3.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.61 131.92 52.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.439 ' CD1' HD21 ' A' ' 56' ' ' LEU . 14.4 mt -108.73 111.71 37.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -108.77 120.54 42.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.8 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -106.95 125.72 51.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -95.05 -56.3 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.428 ' HB3' ' CD ' ' A' ' 23' ' ' LYS . 7.5 t0 -122.01 25.81 8.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.8 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -82.13 16.5 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.105 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.38 -150.54 0.13 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -104.44 118.71 37.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.473 ' HA3' ' CE2' ' A' ' 98' ' ' TYR . . . -154.98 164.91 32.01 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 tt -90.28 122.75 33.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.439 HD21 ' CD1' ' A' ' 46' ' ' ILE . 7.9 tp -81.97 134.21 35.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -128.3 125.21 38.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.61 HG21 HG21 ' A' ' 82' ' ' VAL . 97.9 t -108.61 130.07 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -128.5 110.89 12.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.603 HD12 ' HB2' ' A' ' 70' ' ' ALA . 29.6 mt -110.3 135.61 48.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.5 p -137.0 163.92 29.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.86 -176.61 3.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -53.26 -38.76 63.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -80.49 -25.58 38.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.35 37.98 4.4 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -97.91 153.37 38.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.568 0.699 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 135.31 30.15 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -118.87 136.15 54.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -60.13 115.52 3.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.603 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -118.78 136.45 53.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 58.1 mt -96.88 136.76 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.1 t -110.13 106.77 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.164 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.855 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 7.0 t60 -86.67 129.9 34.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -109.45 115.69 30.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -103.28 -25.01 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 57.67 31.59 20.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -124.7 28.8 6.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 90.43 -29.8 6.44 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 50.5 p -98.37 176.5 5.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.752 0.31 . . . . 0.0 111.177 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -151.73 134.82 15.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.855 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -109.93 143.29 40.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.08 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.61 HG21 HG21 ' A' ' 58' ' ' VAL . 47.5 t -138.81 119.31 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.1 m -101.05 146.7 27.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.604 ' OH ' HG11 ' A' ' 36' ' ' VAL . 22.5 p90 -151.42 128.55 11.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.425 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 43.8 mt -103.33 96.54 8.56 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.669 0.747 . . . . 0.0 111.181 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 85' ' ' ILE . 53.6 Cg_endo -69.72 95.05 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.701 2.267 . . . . 0.0 112.369 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.17 -64.67 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -69.26 176.29 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 73.4 p -127.55 147.88 50.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 143.83 -136.5 6.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -100.48 127.82 46.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.407 ' HE2' ' HB2' ' A' ' 112' ' ' ALA . 32.0 m-85 -110.04 134.47 52.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 7.6 ttm -118.73 113.5 21.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.637 HD12 HD12 ' A' ' 110' ' ' ILE . 52.3 mt -112.34 120.06 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -107.21 92.31 0.76 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.5 t -82.23 134.17 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.936 0.398 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.686 HG22 ' HA ' ' A' ' 102' ' ' ASP . 25.6 p -135.98 147.89 48.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.473 ' CE2' ' HA3' ' A' ' 54' ' ' GLY . 23.5 t80 -132.81 122.81 25.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.67 39.47 97.95 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.447 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 66.54 30.05 75.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.499 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -144.39 120.34 10.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.686 ' HA ' HG22 ' A' ' 97' ' ' THR . 0.3 OUTLIER -73.58 145.27 45.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.755 HD11 ' HE2' ' A' ' 108' ' ' TYR . 7.0 pt -73.39 155.93 89.33 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.65 0.738 . . . . 0.0 111.119 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.477 ' CD ' ' HA ' ' A' ' 22' ' ' SER . 53.6 Cg_endo -69.76 3.03 3.0 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.702 2.268 . . . . 0.0 112.385 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.501 ' HB2' HD12 ' A' ' 103' ' ' ILE . 3.6 mm? -105.04 -29.26 10.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.545 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 72.5 p -68.33 152.45 96.55 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.677 0.751 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.4 Cg_endo -69.8 -176.67 13.08 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.293 0.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.755 ' HE2' HD11 ' A' ' 103' ' ' ILE . 28.8 m-85 -118.17 115.24 24.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -85.28 118.84 25.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.637 HD12 HD12 ' A' ' 94' ' ' ILE . 6.9 mt -144.15 152.17 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.082 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -124.95 154.27 41.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.407 ' HB2' ' HE2' ' A' ' 92' ' ' TYR . . . -108.51 100.1 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.072 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 63.3 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.899 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.1 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.779 0.323 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -65.85 159.38 25.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -150.03 110.94 4.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.625 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -59.49 -46.61 88.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.07 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.3 m -51.31 -31.29 21.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 59.0 mmtt -85.39 28.35 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -115.6 126.64 73.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.8 p -131.42 159.0 39.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.91 147.94 42.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.094 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.8 m -147.27 149.65 33.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.77 -174.7 23.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -37.47 9.21 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.88 -34.74 38.25 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.527 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 mt -111.14 24.52 12.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.4 t -61.22 120.7 10.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.6 t -64.35 -38.16 90.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -59.14 -33.75 71.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.943 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.34 158.51 8.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.455 HG21 ' OH ' ' A' ' 84' ' ' TYR . 35.2 m -117.7 149.08 44.43 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.58 0.705 . . . . 0.0 111.131 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 119.65 6.56 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.84 162.34 2.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.086 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 t 42.08 43.23 2.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.638 HD13 ' HD2' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -141.76 123.26 8.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.567 0.699 . . . . 0.0 110.946 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.638 ' HD2' HD13 ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.75 102.69 1.05 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.738 2.292 . . . . 0.0 112.337 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.581 HG13 ' CE2' ' A' ' 84' ' ' TYR . 9.7 p -114.08 142.96 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -135.2 148.33 49.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 13.0 p90 -112.19 -177.6 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.6 123.63 29.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.6 mt -95.61 101.96 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.6 118.56 33.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.798 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -111.28 125.66 54.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.075 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -95.17 -55.95 2.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -122.1 32.17 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.798 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -93.66 -21.07 19.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.19 -144.12 44.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.435 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -117.64 143.69 45.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.929 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -173.61 154.36 19.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.2 tp -52.66 109.53 0.41 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.858 0.361 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.8 tp -90.85 136.05 33.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.02 146.77 50.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.0 t -123.07 119.62 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.18 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -117.97 109.02 15.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.676 HD12 ' HB2' ' A' ' 70' ' ' ALA . 58.1 mt -115.66 133.84 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.0 p -137.48 170.2 16.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -103.54 173.77 6.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.845 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -44.4 -44.31 8.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -81.67 -24.53 36.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.11 42.54 1.51 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.1 mtmm -97.83 150.21 36.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.559 0.695 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 138.91 39.0 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.386 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -123.74 157.64 33.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -79.73 120.71 24.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.676 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -124.05 138.6 54.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.5 mt -106.35 148.77 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 p -117.76 125.77 74.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -117.49 130.63 56.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.814 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -102.4 121.58 42.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -101.83 -31.63 10.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt 57.77 29.86 18.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -124.57 28.9 6.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.44 24.1 57.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.6 p -150.86 177.92 9.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 111.151 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -151.74 131.26 13.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.15 147.53 32.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.551 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 48.1 t -141.95 117.24 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 17.4 m -98.48 144.29 27.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.581 ' CE2' HG13 ' A' ' 42' ' ' VAL . 5.5 p90 -150.56 136.84 18.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.9 mt -113.69 100.45 52.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.668 0.747 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.563 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 54.0 Cg_endo -69.73 105.75 1.53 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.358 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.07 -55.91 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.889 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -75.7 170.45 16.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 70.2 p -117.62 140.67 49.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.33 -129.18 3.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -112.38 148.53 34.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -129.12 139.95 51.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 50.8 ttm -115.45 117.4 30.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 48.1 mt -110.78 117.94 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -107.59 91.87 0.72 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.542 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 80.8 t -78.92 145.7 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.895 0.378 . . . . 0.0 111.14 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.2 p -144.32 146.06 32.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -132.58 114.2 13.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.14 45.49 80.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.535 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 62.78 35.42 91.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.536 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -143.82 147.52 34.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.81 133.07 43.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.625 HG22 ' O ' ' A' ' 21' ' ' ALA . 14.4 pt -71.8 150.52 93.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.595 0.712 . . . . 0.0 111.131 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 3.38 2.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.369 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.453 ' HB2' HD12 ' A' ' 103' ' ' ILE . 15.2 mt -99.16 -31.14 11.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.507 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.5 m -81.6 160.88 63.35 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.642 0.734 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.6 Cg_endo -69.72 -179.08 18.11 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.343 -0.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -119.57 130.21 55.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.0 mtp-105 -98.45 120.35 38.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 111' ' ' ARG . 39.2 mt -134.35 155.17 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.426 ' N ' HG22 ' A' ' 110' ' ' ILE . 16.2 mtp-105 -129.75 117.97 21.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -80.56 98.48 7.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 61.9 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 -179.894 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.2 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.764 0.316 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -69.44 156.93 38.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -151.22 122.92 8.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.24 -49.62 59.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -48.03 -30.59 4.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.442 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 73.8 mmtt -85.55 29.56 0.68 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 69.0 t -116.01 129.82 71.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.4 p -140.21 140.75 35.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.24 151.23 50.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -148.57 162.36 39.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 134.56 -173.03 21.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -35.62 12.16 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.245 . . . . 0.0 112.335 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.46 -30.31 49.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.435 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 mt -116.34 29.18 8.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.855 0.359 . . . . 0.0 110.935 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 t -65.81 116.54 7.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.1 p -61.03 -38.57 86.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -59.92 -34.0 72.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.87 158.53 7.57 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.459 HG11 ' OH ' ' A' ' 84' ' ' TYR . 33.1 m -116.72 150.86 46.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.716 . . . . 0.0 111.147 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 114.83 3.83 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.664 2.242 . . . . 0.0 112.344 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 39' ' ' SER . . . -57.79 164.94 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 38' ' ' ALA . 7.0 t 35.28 39.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.703 HD13 ' HD2' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -137.47 124.97 14.04 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.601 0.715 . . . . 0.0 110.938 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.703 ' HD2' HD13 ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.75 96.55 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.7 2.266 . . . . 0.0 112.323 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.455 HG13 ' CE2' ' A' ' 84' ' ' TYR . 7.2 p -107.91 140.93 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.143 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -131.45 152.07 51.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.451 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 12.7 p90 -117.83 -178.92 3.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.0 127.29 39.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.3 mt -97.44 103.63 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -95.97 118.94 33.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.801 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -112.6 125.59 54.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -95.28 -55.46 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -122.18 32.19 5.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.801 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -95.33 -20.35 19.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.2 -142.25 42.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -119.61 137.5 53.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.907 0.384 . . . . 0.0 110.902 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.73 162.01 34.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.7 tt -61.67 107.11 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 97' ' ' THR . 50.1 tp -87.63 134.82 33.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.694 ' HB3' ' OG1' ' A' ' 97' ' ' THR . . . -131.2 128.34 39.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.1 t -97.09 131.69 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -134.15 117.13 16.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.706 HD12 ' HB2' ' A' ' 70' ' ' ALA . 47.2 mt -128.87 132.07 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.8 p -135.84 162.39 32.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -94.27 179.83 5.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -52.7 -39.84 62.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -82.84 -24.87 33.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.65 42.39 1.72 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -96.58 152.67 38.73 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.703 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 134.66 28.57 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.66 2.24 . . . . 0.0 112.336 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -126.82 131.67 51.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.2 ttm-85 -73.58 131.91 42.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.706 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -135.95 140.83 44.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.7 mt -84.4 149.51 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.516 ' O ' HG13 ' A' ' 72' ' ' VAL . 7.4 p -122.89 114.78 43.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.679 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 58.2 m-70 -102.46 126.02 49.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -102.3 109.49 21.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -90.77 -28.07 18.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? 58.32 30.12 19.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -124.05 28.63 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 93.32 -30.74 6.92 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.2 p -102.93 176.11 5.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 111.097 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -147.42 140.14 24.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.679 ' HB3' ' HB2' ' A' ' 73' ' ' HIS . . . -111.28 141.02 45.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.066 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.451 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 86.6 t -142.23 120.52 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 92.4 m -100.14 144.54 29.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.459 ' OH ' HG11 ' A' ' 36' ' ' VAL . 3.0 p90 -152.1 129.4 11.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.405 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 60.9 mt -103.6 106.06 50.37 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.662 0.744 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 85' ' ' ILE . 54.0 Cg_endo -69.73 93.11 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.26 . . . . 0.0 112.357 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -78.78 -46.49 18.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -88.24 85.59 6.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 61.9 p -49.41 140.23 10.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 143.54 -128.44 3.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.446 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -99.41 141.37 32.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -133.37 134.96 44.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.48 ' CG ' ' HB2' ' A' ' 107' ' ' PRO . 34.4 ttm -120.9 111.64 17.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 27.4 mt -103.38 132.71 49.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.066 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -117.29 94.84 0.64 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.458 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.7 t -83.04 141.4 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.694 ' OG1' ' HB3' ' A' ' 57' ' ' ALA . 24.9 p -138.92 147.24 42.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -136.81 112.95 9.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.99 44.89 59.57 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 61.84 32.98 83.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.452 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -151.41 117.25 5.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.527 ' CA ' HG22 ' A' ' 97' ' ' THR . 0.3 OUTLIER -71.65 143.29 49.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.461 HD12 HD12 ' A' ' 105' ' ' LEU . 21.4 pt -74.79 154.04 87.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.58 0.705 . . . . 0.0 111.183 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 6.36 1.35 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.461 HD12 HD12 ' A' ' 103' ' ' ILE . 21.0 mt -101.44 -26.34 13.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.523 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 2.1 p -83.91 155.27 64.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.653 0.74 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.76 -176.58 12.88 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.373 -0.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -117.71 133.41 55.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -95.6 117.29 30.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 38.9 mt -138.97 149.76 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -126.34 118.75 25.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -81.11 108.46 14.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.5 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 -179.867 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 87.1 m . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.798 0.333 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -68.42 170.06 9.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -154.86 121.8 5.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.01 -49.77 41.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.8 m -48.31 -27.34 2.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.492 ' CE ' ' HB3' ' A' ' 50' ' ' ASP . 21.2 mmmt -88.8 26.97 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 79.0 t -119.74 124.87 73.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.8 p -141.01 163.33 33.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.5 154.03 45.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -147.0 150.39 35.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.69 -173.76 23.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.45 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -36.79 10.05 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.251 . . . . 0.0 112.325 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.87 -33.73 43.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 mt -112.68 27.14 9.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.787 0.327 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.2 t -64.95 123.17 18.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 t -72.76 -35.4 67.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -61.38 -31.79 71.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.24 157.01 7.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.0 m -120.39 151.09 53.15 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 116.3 4.5 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.378 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.12 153.23 26.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.5 t 45.36 41.95 6.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.837 HD22 ' HD2' ' A' ' 41' ' ' PRO . 1.7 tm? -139.68 126.79 12.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.632 0.73 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.837 ' HD2' HD22 ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.8 100.12 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.519 HG13 ' CE2' ' A' ' 84' ' ' TYR . 9.4 p -108.91 145.31 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.27 142.63 41.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.508 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 10.4 p90 -107.98 -178.8 3.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.35 131.93 50.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.3 mt -106.37 106.38 20.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -102.06 121.11 41.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.856 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -110.62 127.75 55.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -94.62 -56.46 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.492 ' HB3' ' CE ' ' A' ' 23' ' ' LYS . 6.6 t0 -122.11 18.86 10.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.856 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -74.08 -28.49 61.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.072 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.33 -146.53 48.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -101.03 120.02 39.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.379 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.504 ' HA3' ' CE2' ' A' ' 98' ' ' TYR . . . -147.67 146.38 16.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 tp -58.41 106.59 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.1 tp -87.59 135.83 33.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.77 143.12 46.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.5 t -112.68 115.21 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.143 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -118.94 107.17 13.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.755 HD12 ' HB2' ' A' ' 70' ' ' ALA . 38.4 mt -117.94 129.76 73.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.14 154.53 50.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -83.91 -178.11 6.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -55.05 -39.23 68.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -86.34 -23.42 26.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.84 45.02 1.06 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.9 mtpt -97.95 150.81 37.14 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.556 0.693 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 135.78 31.37 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.697 2.264 . . . . 0.0 112.377 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.425 ' NZ ' ' HA ' ' A' ' 68' ' ' LYS . 1.4 mmmp? -124.08 129.96 51.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -61.72 116.98 5.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.755 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -119.15 133.47 55.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 54.6 mt -93.24 146.68 6.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.7 t -113.53 118.25 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -106.66 124.69 49.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -103.54 120.57 41.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -103.65 -34.41 8.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm 59.29 30.74 20.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -125.21 29.39 6.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.17 22.76 58.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.5 p -151.12 178.29 9.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.78 0.324 . . . . 0.0 111.165 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -152.1 139.72 19.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -119.83 143.69 47.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.508 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 61.1 t -138.24 129.13 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 87.4 m -109.45 142.59 40.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.175 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.531 ' CE1' ' HD3' ' A' ' 86' ' ' PRO . 4.4 p90 -148.94 137.82 21.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.1 mt -114.39 102.82 55.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.711 . . . . 0.0 111.143 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.531 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 54.2 Cg_endo -69.76 89.86 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.311 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.83 -54.42 45.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.13 138.91 32.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.4 p -75.31 171.03 14.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 124.95 -140.18 12.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -114.34 145.91 41.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.847 0.356 . . . . 0.0 110.847 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.404 ' CE2' ' HB3' ' A' ' 86' ' ' PRO . 32.9 m-85 -125.73 139.72 53.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.949 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 44.0 ttm -115.82 106.92 14.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 48.7 mt -103.08 125.87 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -115.64 96.11 0.73 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.49 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.6 t -80.22 136.8 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 111.12 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.548 HG22 ' HA ' ' A' ' 102' ' ' ASP . 35.9 p -133.03 143.6 49.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.504 ' CE2' ' HA3' ' A' ' 54' ' ' GLY . 4.5 t80 -131.9 115.24 15.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.64 42.89 87.05 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.27 33.07 86.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.437 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -148.54 118.31 7.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.751 0.31 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.548 ' HA ' HG22 ' A' ' 97' ' ' THR . 1.0 OUTLIER -66.99 141.14 57.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.431 HD12 ' HB2' ' A' ' 105' ' ' LEU . 29.6 pt -77.8 152.97 80.58 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.607 0.718 . . . . 0.0 111.151 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 2.26 3.71 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.673 2.248 . . . . 0.0 112.297 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.431 ' HB2' HD12 ' A' ' 103' ' ' ILE . 4.4 mm? -96.74 -25.8 15.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.951 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.511 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.4 m -89.49 160.82 41.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.682 0.753 . . . . 0.0 110.816 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.76 179.91 20.97 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.356 -0.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -118.46 128.71 54.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -95.77 118.08 31.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.2 mt -134.42 148.86 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -127.4 128.77 46.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -86.78 105.02 16.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 -179.881 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.807 0.337 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -60.47 157.76 13.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -158.63 120.61 3.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.89 -47.56 65.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.1 p -49.45 -27.75 4.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 37.5 mmtm -88.2 30.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -123.05 118.27 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.1 p -134.6 148.42 50.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -133.72 149.49 51.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.09 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.2 m -147.76 153.3 39.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.74 -172.72 23.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -34.56 14.14 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.723 2.282 . . . . 0.0 112.316 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.504 ' O ' HD13 ' A' ' 110' ' ' ILE . . . -54.66 -28.74 46.99 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.432 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mt -115.58 26.0 10.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.1 t -68.01 112.65 5.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.1 p -59.72 -32.7 70.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -62.45 -28.16 69.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.62 159.31 9.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -120.0 151.81 53.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.624 0.726 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 117.58 5.17 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.25 . . . . 0.0 112.348 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 39' ' ' SER . . . -57.36 163.07 2.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' ALA . 9.9 m 35.55 42.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.605 HD22 ' HD2' ' A' ' 41' ' ' PRO . 0.9 OUTLIER -137.22 125.49 14.64 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.568 0.699 . . . . 0.0 110.942 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.605 ' HD2' HD22 ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.74 99.33 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.694 2.262 . . . . 0.0 112.347 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 p -112.36 145.39 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -139.73 143.26 36.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.576 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 19.1 p90 -106.35 179.79 4.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.73 132.69 51.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 62.3 mt -100.92 111.16 29.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.71 111.66 23.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.631 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -115.36 125.16 52.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -95.07 -55.53 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -122.2 33.4 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.631 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -77.96 10.85 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.077 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 44.98 -143.45 2.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.443 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -127.18 106.99 9.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 110.856 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -142.68 171.02 24.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.444 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.432 ' C ' HD23 ' A' ' 55' ' ' LEU . 7.8 tt -74.83 117.24 16.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 39.5 tp -97.94 142.29 29.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -158.48 142.74 15.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.5 p -111.47 141.66 26.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -123.07 102.33 7.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.6 HD12 ' HB2' ' A' ' 70' ' ' ALA . 65.1 mt -103.82 136.0 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 p -142.09 165.95 26.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -96.0 174.65 6.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -47.63 -40.94 20.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -82.99 -25.75 31.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.28 39.37 1.66 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.3 mttp -86.9 152.17 53.24 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.575 0.702 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 129.18 17.16 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.703 2.269 . . . . 0.0 112.324 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -114.79 147.91 39.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -83.84 110.78 18.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.6 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -111.62 126.82 55.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 30.9 mt -89.99 145.34 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 72' ' ' VAL . 11.1 p -113.93 125.71 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 54.9 t-80 -110.85 138.33 47.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -115.33 116.85 28.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -102.64 -29.56 11.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? 59.73 30.0 19.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -125.82 30.74 5.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.841 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 77.67 26.9 59.97 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.9 p -152.64 173.46 15.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 111.145 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -150.52 139.57 21.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.475 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -119.67 146.13 45.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.046 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.576 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 89.9 t -135.2 123.97 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 81.9 m -104.11 138.39 40.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.433 ' CE1' ' HD3' ' A' ' 86' ' ' PRO . 2.0 p90 -150.9 140.34 21.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 60.4 mt -114.91 106.95 51.02 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.623 0.725 . . . . 0.0 111.115 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.433 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 53.4 Cg_endo -69.74 107.44 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -83.06 -60.06 2.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -79.77 153.89 28.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 80.3 p -103.55 143.55 32.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.02 -128.5 2.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.404 ' HD3' ' N ' ' A' ' 91' ' ' ARG . 1.5 mpp_? -114.21 132.58 56.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.782 0.325 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.04 130.97 57.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.458 ' CE ' ' HB2' ' A' ' 107' ' ' PRO . 2.8 tpt -112.6 119.24 37.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 39.8 mt -118.24 147.19 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.146 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -136.53 102.69 0.41 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.5 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.1 t -82.79 112.31 20.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.89 0.376 . . . . 0.0 111.102 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 33.2 p -108.66 135.23 50.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -124.99 120.55 31.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.7 47.69 83.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 60.5 36.57 91.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.461 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -153.24 117.39 4.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.37 146.26 40.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.496 HD12 ' HB2' ' A' ' 105' ' ' LEU . 3.6 pt -75.11 157.1 85.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.606 0.717 . . . . 0.0 111.145 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -2.31 9.96 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.337 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.496 ' HB2' HD12 ' A' ' 103' ' ' ILE . 19.3 mt -95.55 -38.93 10.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.535 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 12.1 p -65.8 155.18 87.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.681 0.753 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.72 -177.25 14.07 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.372 -0.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.469 ' HE1' HD11 ' A' ' 103' ' ' ILE . 48.2 m-85 -118.36 124.8 48.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 18.3 ptt85 -87.55 122.83 31.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.816 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.504 HD13 ' O ' ' A' ' 30' ' ' GLY . 10.8 mt -144.58 146.63 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -141.96 125.74 17.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -80.67 123.63 28.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 75.9 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.6 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.777 0.322 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.414 ' CE2' ' HA3' ' A' ' 99' ' ' GLY . 5.5 p90 -73.92 160.11 31.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -151.37 107.44 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.839 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.436 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -49.2 -53.92 19.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.099 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.3 m -47.59 -29.03 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.75 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 61.2 mmtt -84.34 28.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.3 t -118.12 120.89 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.148 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.1 p -130.38 144.26 51.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -125.7 149.72 48.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.9 p -140.57 170.75 15.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 128.52 179.35 15.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -38.47 7.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.306 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.424 ' O ' HD13 ' A' ' 110' ' ' ILE . . . -53.28 -35.04 49.14 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 32' ' ' SER . 33.0 mt -85.56 -18.54 33.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 31' ' ' LEU . 41.8 t -34.09 117.64 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.7 p -74.33 -29.29 61.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -61.17 -31.18 70.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.75 152.45 5.95 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.5 m -117.76 151.92 49.24 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.602 0.715 . . . . 0.0 111.163 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 114.72 3.8 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.676 2.25 . . . . 0.0 112.348 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 39' ' ' SER . . . -59.57 173.31 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 38' ' ' ALA . 2.8 m 34.82 41.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.804 HD22 ' HD2' ' A' ' 41' ' ' PRO . 1.7 tm? -144.68 124.97 7.38 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.639 0.733 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.804 ' HD2' HD22 ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.78 99.31 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.32 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.437 HG13 ' CE2' ' A' ' 84' ' ' TYR . 12.2 p -103.6 139.52 24.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -132.39 135.41 46.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.453 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 21.8 p90 -103.41 179.25 4.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.27 126.23 36.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.5 mt -96.93 112.2 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.434 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.7 OUTLIER -106.94 118.55 36.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.837 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.843 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -109.85 125.66 53.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -95.15 -56.37 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -120.65 26.75 8.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.843 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -84.77 -23.84 29.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.152 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.93 -142.45 38.04 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -116.96 129.68 56.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.93 161.64 32.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.5 tp -56.72 107.63 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.0 tp -97.27 128.2 43.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -130.24 157.5 42.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.959 HG11 HG11 ' A' ' 82' ' ' VAL . 98.9 t -132.31 98.78 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -102.36 108.15 19.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.665 HD12 ' HB2' ' A' ' 70' ' ' ALA . 70.2 mt -109.46 123.42 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.1 p -124.11 162.32 23.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -104.92 -176.0 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -36.83 51.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -79.3 -25.14 42.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.08 31.91 7.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -96.96 153.79 38.44 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.559 0.695 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 132.58 23.62 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.2 mmmm -114.82 150.9 34.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -76.98 122.13 24.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.838 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.665 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -129.06 149.83 50.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.3 mt -105.32 140.46 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 89.8 t -116.64 106.69 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -90.46 143.28 26.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -109.37 119.26 38.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -102.56 -28.93 11.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.99 33.43 21.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -126.04 28.42 6.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.36 5.82 89.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.434 HG22 ' HA ' ' A' ' 47' ' ' ASP . 23.8 p -129.82 176.29 8.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.729 0.299 . . . . 0.0 111.19 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -151.87 134.15 15.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.49 142.12 42.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.959 HG11 HG11 ' A' ' 58' ' ' VAL . 85.1 t -135.75 115.02 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.7 m -92.74 137.87 31.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.437 ' CE2' HG13 ' A' ' 42' ' ' VAL . 1.7 p90 -150.13 132.65 15.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.3 mt -105.03 112.45 65.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.718 . . . . 0.0 111.158 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 81.82 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.662 2.241 . . . . 0.0 112.373 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.07 -47.71 79.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -87.37 173.17 9.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.2 p -128.32 129.46 46.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.121 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 156.42 -121.52 1.09 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.437 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -112.22 127.49 55.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -111.97 125.82 54.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 33.6 tpp -111.53 131.08 55.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 76.8 mt -122.67 115.09 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.58 91.43 1.05 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 88.1 t -84.99 117.92 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 111.105 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.452 HG22 ' OD2' ' A' ' 102' ' ' ASP . 70.5 p -115.39 148.91 38.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -139.66 109.15 6.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.414 ' HA3' ' CE2' ' A' ' 19' ' ' TYR . . . 72.2 44.32 44.36 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 61.93 30.35 75.08 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.457 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -152.87 117.97 5.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.821 0.343 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.452 ' OD2' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.01 143.97 45.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.436 HG22 ' O ' ' A' ' 21' ' ' ALA . 5.3 pt -70.18 157.2 90.45 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.707 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 4.65 2.07 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.733 2.289 . . . . 0.0 112.321 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 73.3 mt -118.89 4.95 11.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.533 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 70.6 p -111.4 152.89 44.22 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.75 -176.07 11.98 Favored 'Cis proline' 0 C--O 1.232 0.179 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.331 -0.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -114.58 130.82 56.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 27.1 ptt-85 -87.95 132.73 34.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.424 HD13 ' O ' ' A' ' 30' ' ' GLY . 6.8 mt -153.58 150.34 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -142.63 140.61 31.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -77.84 142.67 38.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 75.6 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 -179.941 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.404 ' O ' HG22 ' A' ' 18' ' ' THR . 89.3 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.8 0.333 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.457 ' CE1' ' HA3' ' A' ' 99' ' ' GLY . 17.6 p90 -82.07 158.97 23.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.961 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -151.03 132.57 14.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.761 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -79.55 -45.13 19.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.2 p -58.47 -21.0 50.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HE2' ' CB ' ' A' ' 50' ' ' ASP . 11.7 mmmt -85.95 7.52 24.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.0 t -105.82 124.36 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.4 p -119.1 159.44 23.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.769 ' HB1' HD11 ' A' ' 31' ' ' LEU . . . -137.74 131.86 31.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.8 m -148.05 147.24 29.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.39 -174.2 24.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -34.36 14.6 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.667 2.245 . . . . 0.0 112.311 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.29 -30.0 60.8 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.769 HD11 ' HB1' ' A' ' 26' ' ' ALA . 14.9 mt -109.37 20.23 18.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.327 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 t -60.5 119.6 8.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 t -68.85 -32.36 71.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -61.04 -32.29 71.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.12 158.36 7.56 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.471 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.9 m -125.35 143.99 46.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 111.148 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 119.14 6.14 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.647 2.231 . . . . 0.0 112.374 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.592 ' HB2' HG22 ' A' ' 89' ' ' THR . . . -62.55 164.49 7.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.4 m 44.76 29.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.728 HD22 ' HD2' ' A' ' 41' ' ' PRO . 1.5 tm? -127.35 124.28 23.59 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.634 0.73 . . . . 0.0 110.952 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.728 ' HD2' HD22 ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.73 98.31 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.39 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.571 HG13 ' CE1' ' A' ' 84' ' ' TYR . 7.1 p -112.83 143.18 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -133.53 148.18 51.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.532 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 1.7 p90 -108.96 172.68 6.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -117.24 135.22 53.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.151 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.2 mt -117.36 98.43 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.36 113.79 25.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.871 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -102.3 125.6 49.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -95.15 -54.16 3.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.832 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.454 ' CB ' ' HE2' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -122.08 19.3 10.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.871 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -71.37 0.28 8.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 54.98 -135.31 47.13 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.514 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -130.15 129.71 43.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.907 0.385 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.43 -168.17 26.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 mp -96.83 140.54 31.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.2 tp -114.93 140.49 48.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.07 147.52 30.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 58' ' ' VAL . 8.0 p -125.23 123.77 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.3 mp0 -111.84 108.8 18.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.539 HD12 ' HB2' ' A' ' 70' ' ' ALA . 22.3 mt -106.4 136.3 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.88 163.33 32.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -105.86 173.27 6.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -45.1 -29.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -91.36 -24.08 19.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.467 ' N ' ' OD1' ' A' ' 62' ' ' ASP . . . 96.26 48.35 2.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.505 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -95.23 151.19 38.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.646 0.736 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 130.04 18.71 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -122.88 144.55 49.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -90.81 140.04 30.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.539 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -136.79 133.82 36.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 44.3 mt -76.35 144.54 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.6 t -110.29 110.03 30.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.171 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.691 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 11.0 t60 -93.17 115.19 27.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.97 111.12 23.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 77' ' ' ASP . 3.4 m-80 -99.6 -12.46 20.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 75' ' ' ASN . 0.1 OUTLIER 31.2 38.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 75' ' ' ASN . 88.4 m-20 -126.02 2.21 7.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.76 8.19 11.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.446 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.2 p -144.69 176.86 9.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.798 0.332 . . . . 0.0 111.122 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -151.51 130.54 12.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.691 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -114.34 144.74 42.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.107 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.532 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 96.1 t -137.46 125.67 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.7 m -106.03 146.68 29.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.571 ' CE1' HG13 ' A' ' 42' ' ' VAL . 8.4 p90 -150.15 128.7 12.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.4 mt -106.24 96.33 13.2 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.571 0.701 . . . . 0.0 111.165 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.515 ' HD3' ' CD2' ' A' ' 84' ' ' TYR . 53.2 Cg_endo -69.75 118.7 5.84 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.254 . . . . 0.0 112.344 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -87.97 -63.5 1.29 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -81.45 106.9 13.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.592 HG22 ' HB2' ' A' ' 38' ' ' ALA . 58.5 p -61.09 135.04 57.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 154.44 -172.24 32.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -52.27 122.23 8.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -119.44 114.64 22.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.7 tpp -104.96 119.29 38.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 39.5 mt -109.8 130.28 63.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -115.37 99.0 0.87 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 71.5 t -85.45 127.91 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.388 . . . . 0.0 111.157 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.3 p -124.6 143.06 50.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -136.99 125.51 23.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.457 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . 56.14 33.32 60.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 74.74 26.33 67.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -141.82 127.23 18.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.349 . . . . 0.0 110.825 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.93 126.33 32.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.761 HG22 ' O ' ' A' ' 21' ' ' ALA . 12.1 pt -59.29 155.0 38.65 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.591 0.71 . . . . 0.0 111.172 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -1.54 8.68 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.499 ' HB2' HD12 ' A' ' 103' ' ' ILE . 93.6 mt -93.49 -26.47 17.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.52 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 2.7 p -85.16 154.24 60.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.698 0.761 . . . . 0.0 110.848 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.9 Cg_endo -69.79 -177.66 15.07 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.357 0.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.4 ' CD2' HD22 ' A' ' 31' ' ' LEU . 9.0 m-85 -122.07 129.47 52.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -92.48 129.07 38.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 1.8 mt -149.08 149.68 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 43.4 mtt-85 -124.47 116.6 22.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -78.16 111.67 14.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 -179.944 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.3 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.747 0.308 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.434 ' CE1' ' HA3' ' A' ' 99' ' ' GLY . 3.6 p90 -70.17 155.86 40.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -160.28 119.64 2.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.437 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -69.8 -43.78 71.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.6 p -48.13 -29.68 3.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 35.7 mmtm -90.62 28.4 1.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -117.97 128.6 75.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.9 p -139.67 156.05 47.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -139.64 145.83 38.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.5 m -146.88 143.04 28.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.13 -174.86 28.6 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -37.77 8.87 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.381 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.01 -31.22 39.58 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mt -113.31 24.46 12.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.1 t -60.77 120.74 10.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.3 p -69.34 -35.63 76.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -59.25 -33.21 70.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.05 156.61 6.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.445 HG11 ' OH ' ' A' ' 84' ' ' TYR . 28.7 m -122.56 146.22 47.0 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.614 0.721 . . . . 0.0 111.147 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 117.52 5.13 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.633 2.222 . . . . 0.0 112.392 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.41 153.36 35.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 t 55.14 42.11 30.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.648 HD13 ' HD2' ' A' ' 41' ' ' PRO . 0.4 OUTLIER -143.49 124.69 8.15 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.584 0.707 . . . . 0.0 110.935 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.648 ' HD2' HD13 ' A' ' 40' ' ' LEU . 53.4 Cg_endo -69.75 97.73 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.708 2.272 . . . . 0.0 112.308 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.544 HG13 ' CE2' ' A' ' 84' ' ' TYR . 11.4 p -112.02 151.67 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -140.53 159.48 42.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.475 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 13.6 p90 -125.44 179.54 5.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.69 130.31 48.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.9 mt -100.98 99.85 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -88.48 112.61 23.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.734 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -110.2 125.2 52.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -95.58 -56.86 2.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -122.42 29.69 6.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.734 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -79.52 13.35 2.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 46.79 -128.69 11.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -144.3 112.11 6.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.909 0.385 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -144.66 167.88 26.98 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.8 tp -74.34 110.05 8.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.858 0.361 . . . . 0.0 110.931 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.6 tp -84.88 139.76 31.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.68 147.71 45.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.0 t -119.07 124.69 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -118.57 105.38 11.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.562 HD12 ' HB2' ' A' ' 70' ' ' ALA . 74.8 mt -110.61 137.49 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.3 p -135.79 170.6 15.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.79 -176.56 2.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -52.3 -36.01 51.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -82.68 -25.74 32.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.45 38.16 4.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -100.91 155.27 36.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.565 0.698 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 135.15 29.67 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.329 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -119.06 152.56 36.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -80.31 126.82 31.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.562 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -134.55 139.99 45.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.3 mt -90.44 139.96 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.2 p -110.18 127.41 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.522 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 2.4 t60 -106.21 134.31 49.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -115.41 111.33 20.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -100.55 -28.7 12.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? 56.8 37.71 28.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -129.2 25.11 5.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 96.03 -22.3 40.33 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.2 p -113.78 174.89 5.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 111.178 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -151.96 137.55 17.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -111.75 148.67 32.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.128 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.475 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 64.4 t -143.85 126.84 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 31.3 m -103.05 143.32 32.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.589 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 9.2 p90 -149.28 127.59 12.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.411 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 54.6 mt -103.14 95.46 6.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.585 0.707 . . . . 0.0 111.127 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.589 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.8 Cg_endo -69.73 104.67 1.35 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -94.17 -50.6 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -75.82 103.94 6.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 81.2 p -64.79 150.43 47.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.89 -129.92 4.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -108.91 122.09 46.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -107.55 131.87 53.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 5.6 ttm -121.16 110.85 16.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 18.7 mt -107.46 120.7 59.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -112.28 102.8 1.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.2 t -84.89 137.87 20.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.869 0.366 . . . . 0.0 111.107 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.504 HG22 ' CG ' ' A' ' 102' ' ' ASP . 25.8 p -128.2 145.32 51.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -135.13 116.26 14.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.434 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . 58.05 49.36 75.93 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.547 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 60.94 32.1 78.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.514 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -151.11 119.03 6.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.504 ' CG ' HG22 ' A' ' 97' ' ' THR . 0.3 OUTLIER -76.61 146.81 37.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.669 HD11 ' HE2' ' A' ' 108' ' ' TYR . 4.8 pt -72.44 156.94 89.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.624 0.726 . . . . 0.0 111.095 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 3.9 2.52 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.673 2.248 . . . . 0.0 112.348 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.474 ' HB2' HD12 ' A' ' 103' ' ' ILE . 4.5 mm? -104.18 -23.31 13.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.537 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 4.5 p -80.19 153.81 74.54 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.709 0.766 . . . . 0.0 110.813 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 106' ' ' SER . 54.3 Cg_endo -69.65 -179.64 19.52 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.388 -0.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.669 ' HE2' HD11 ' A' ' 103' ' ' ILE . 39.7 m-85 -117.84 112.6 20.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -85.03 132.75 34.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 111' ' ' ARG . 6.8 mt -154.85 160.94 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.119 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.42 ' N ' HG22 ' A' ' 110' ' ' ILE . 14.5 ttm180 -133.93 131.12 38.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -85.29 98.18 10.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 75.3 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.891 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.3 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.785 0.326 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.515 ' CE1' ' HA3' ' A' ' 99' ' ' GLY . 7.9 p90 -67.81 157.56 34.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -144.7 120.93 10.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.465 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -69.59 -51.16 37.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -49.36 -30.87 8.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.552 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 30.4 mmtm -83.91 33.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 54.5 t -117.12 123.77 72.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 p -140.19 144.4 36.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.187 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.19 153.91 43.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.8 m -145.17 149.68 35.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.77 -173.89 24.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.57 ' O ' HG12 ' A' ' 36' ' ' VAL . 54.1 Cg_endo -69.72 -37.15 9.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.344 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.46 -26.68 45.63 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.471 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.3 mt -118.25 25.1 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.4 t -69.66 120.02 14.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.2 t -61.42 -31.67 71.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -64.09 -22.5 66.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.8 158.76 10.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.5 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 29' ' ' PRO . 30.8 m -118.02 150.12 46.77 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.662 0.744 . . . . 0.0 111.12 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 115.23 4.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.45 163.24 5.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 t 39.69 40.06 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.82 HD13 ' HD2' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -139.31 126.43 12.85 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.705 . . . . 0.0 110.923 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.82 ' HD2' HD13 ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.76 97.68 0.65 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.671 2.247 . . . . 0.0 112.367 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.542 HG13 ' CE2' ' A' ' 84' ' ' TYR . 12.0 p -109.27 143.96 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -134.43 136.95 43.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.541 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 11.2 p90 -101.53 -179.28 3.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.85 133.73 52.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.078 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.4 mt -108.09 103.92 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -102.36 119.23 38.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.832 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -108.27 125.49 51.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 83.2 mtm-85 -94.35 -56.26 2.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -121.92 24.87 9.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.832 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -89.61 -14.7 34.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.26 -139.09 48.35 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -120.72 133.15 55.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.907 0.384 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.03 170.6 37.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 tp -65.27 108.81 2.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.851 0.357 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.9 tp -95.62 131.08 42.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.68 134.06 20.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 p -110.26 135.21 49.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -120.73 103.9 9.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.5 mt -96.54 133.74 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.7 p -136.55 167.31 21.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.88 -175.61 2.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -54.18 -36.02 62.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -84.55 -22.8 29.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.64 44.61 3.12 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -92.35 148.45 36.52 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.503 0.668 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 127.87 15.2 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.71 2.274 . . . . 0.0 112.344 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -118.45 159.42 23.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.1 tpp85 -95.91 144.23 26.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.18 143.53 49.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.088 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 57.4 mt -96.27 133.4 37.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.1 p -104.64 126.37 59.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -117.76 128.14 54.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.813 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -98.78 125.7 44.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -108.29 -29.7 8.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.36 31.08 20.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -124.72 29.37 6.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.02 22.52 65.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.4 p -148.62 178.07 8.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 0.0 111.126 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -151.67 133.06 14.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.47 148.09 31.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.541 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 83.9 t -141.95 114.92 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 77.6 m -93.19 143.16 26.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.542 ' CE2' HG13 ' A' ' 42' ' ' VAL . 1.7 p90 -152.55 130.29 11.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.424 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 40.4 mt -107.36 103.86 50.2 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.602 0.715 . . . . 0.0 111.139 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.5 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 53.5 Cg_endo -69.76 120.91 7.62 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.668 2.245 . . . . 0.0 112.345 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -100.41 -57.64 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -81.55 121.25 26.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 32.2 p -72.22 156.36 39.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 133.04 -145.87 17.83 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -96.88 128.4 43.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -109.7 135.21 51.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.481 ' CG ' ' HB2' ' A' ' 107' ' ' PRO . 3.6 ttm -119.74 111.82 18.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 26.0 mt -107.39 134.76 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -123.98 100.24 0.64 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.1 t -85.42 134.86 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.9 0.381 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.587 HG22 ' CG ' ' A' ' 102' ' ' ASP . 40.2 p -125.19 140.35 52.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -130.17 112.98 13.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.515 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . 66.27 47.96 67.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 59.22 32.24 71.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.475 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -153.35 118.14 5.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.329 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.587 ' CG ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -78.37 155.23 30.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.533 HD11 ' HE1' ' A' ' 108' ' ' TYR . 21.6 pt -81.43 154.85 71.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.591 0.71 . . . . 0.0 111.145 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 5.96 1.5 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.673 2.249 . . . . 0.0 112.298 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.472 ' HB2' HD12 ' A' ' 103' ' ' ILE . 48.9 mt -103.14 -26.55 12.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.534 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 8.2 p -77.16 155.36 82.32 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.674 0.75 . . . . 0.0 110.83 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 106' ' ' SER . 54.0 Cg_endo -69.78 -176.92 13.47 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.36 -0.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.533 ' HE1' HD11 ' A' ' 103' ' ' ILE . 24.0 m-85 -114.54 119.93 38.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.46 132.38 34.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 22.1 mt -151.16 154.72 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.3 mtp-105 -127.99 121.89 30.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -81.12 103.54 11.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.3 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 -179.903 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -171.96 162.1 5.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.0 p -169.09 166.79 10.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.63 -102.44 0.22 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.506 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m 53.29 49.83 18.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.357 . . . . 0.0 110.855 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -104.83 157.4 17.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.23 120.78 4.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -133.61 178.53 6.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.896 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.2 p -157.04 131.27 4.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.667 0.746 . . . . 0.0 110.816 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.455 ' HB2' ' CD1' ' A' ' 11' ' ' PHE . 53.7 Cg_endo -69.77 -25.97 28.0 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.347 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.455 ' CD1' ' HB2' ' A' ' 10' ' ' PRO . 76.5 m-85 -154.33 118.55 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -163.16 131.05 3.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.651 HG23 HG22 ' A' ' 15' ' ' VAL . 35.0 m -89.15 173.37 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -109.04 42.23 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.651 HG22 HG23 ' A' ' 13' ' ' VAL . 27.3 m -81.01 175.52 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.448 ' O ' HD12 ' A' ' 16' ' ' LEU . 4.4 pp -86.17 142.21 35.72 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.601 0.715 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.445 ' HB2' ' CD1' ' A' ' 19' ' ' TYR . 53.9 Cg_endo -69.71 152.9 69.66 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.382 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 93.0 m -72.6 -30.52 64.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.136 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.445 ' CD1' ' HB2' ' A' ' 17' ' ' PRO . 10.9 p90 -84.81 173.61 10.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.965 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -168.66 106.67 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.51 -45.96 69.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.0 p -48.22 -31.62 6.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.716 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 34.1 mmtm -89.76 30.47 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 76.4 t -115.98 130.25 71.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.1 p -138.85 158.7 43.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -139.15 146.68 40.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.062 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.6 m -147.96 151.06 35.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.78 -173.81 23.39 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -36.2 11.26 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.664 2.243 . . . . 0.0 112.328 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.5 -25.59 35.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.3 mt -120.2 23.22 11.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.809 0.338 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.3 t -64.84 126.18 27.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 80.1 p -74.17 -31.85 62.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.46 ' C ' ' CD1' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -60.36 -30.84 69.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.86 155.62 7.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.442 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -126.98 148.61 66.38 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.614 0.721 . . . . 0.0 111.129 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 124.33 11.0 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.654 2.236 . . . . 0.0 112.401 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.71 139.17 47.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.5 t 68.53 25.87 6.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -122.43 136.49 26.58 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.711 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 97.58 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.248 . . . . 0.0 112.336 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.747 HG13 ' CE2' ' A' ' 84' ' ' TYR . 13.7 p -110.93 146.49 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -142.79 142.94 31.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.58 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 19.6 p90 -108.01 175.5 5.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.96 138.31 54.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 29.6 mt -112.82 103.43 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.454 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.6 OUTLIER -101.42 115.92 31.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.762 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -106.78 125.63 51.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -95.15 -56.48 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -122.12 19.32 10.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.762 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -81.87 -18.47 43.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.88 -138.01 39.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -117.6 132.64 56.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.666 ' N ' ' CE2' ' A' ' 98' ' ' TYR . . . -160.38 138.64 5.63 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.529 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.1 tp -47.14 108.41 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.359 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.4 tp -87.24 144.41 26.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.48 140.3 20.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.2 p -123.58 140.43 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -133.97 104.4 6.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.2 mt -99.23 124.9 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.8 p -124.17 164.04 20.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.78 175.47 5.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -46.11 -33.29 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -86.75 -25.11 24.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.96 44.77 2.77 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -99.86 151.9 37.63 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.558 0.694 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 131.97 22.34 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.423 ' NZ ' ' OD2' ' A' ' 87' ' ' ASP . 17.2 mmtt -114.25 150.35 34.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -73.58 127.64 33.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -132.34 121.2 23.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.7 mt -90.2 146.91 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 p -111.19 122.75 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -111.76 123.63 50.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -102.04 123.62 46.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -106.57 -24.46 12.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.74 30.91 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -122.86 26.72 8.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.821 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 85.02 14.07 70.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.452 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.454 HG22 ' HA ' ' A' ' 47' ' ' ASP . 56.3 p -144.1 170.34 16.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 111.17 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -143.67 133.01 23.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.33 149.74 28.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.102 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.58 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 99.9 t -145.3 120.83 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 31.6 m -101.77 142.03 33.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.162 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.747 ' CE2' HG13 ' A' ' 42' ' ' VAL . 11.4 p90 -147.94 129.49 14.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.406 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 37.2 mt -105.71 96.25 12.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.59 0.71 . . . . 0.0 111.168 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.567 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 54.1 Cg_endo -69.71 97.32 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.256 . . . . 0.0 112.357 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.423 ' OD2' ' NZ ' ' A' ' 68' ' ' LYS . 2.8 m-20 -74.6 -61.18 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -86.13 97.87 10.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.886 HG21 ' HG2' ' A' ' 114' ' ' GLN . 0.1 OUTLIER -49.12 172.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.472 ' N ' ' OG1' ' A' ' 89' ' ' THR . . . 126.5 -179.8 16.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -61.23 110.56 1.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -100.98 128.09 47.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 5.0 ttm -115.89 108.72 16.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 52.4 mt -97.79 129.44 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -115.41 91.68 0.56 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.497 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 97.1 t -79.19 145.25 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 111.175 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.581 HG22 ' HA ' ' A' ' 102' ' ' ASP . 27.6 p -145.55 147.11 31.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.666 ' CE2' ' N ' ' A' ' 54' ' ' GLY . 4.5 t80 -133.43 117.82 17.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.55 45.24 96.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.546 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.57 34.5 90.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -149.54 119.85 7.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.581 ' HA ' HG22 ' A' ' 97' ' ' THR . 2.9 p30 -74.8 141.49 44.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.566 HD12 ' HB2' ' A' ' 105' ' ' LEU . 20.3 pt -76.28 153.55 84.17 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.619 0.723 . . . . 0.0 111.114 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 1.28 4.59 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.322 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.566 ' HB2' HD12 ' A' ' 103' ' ' ILE . 66.7 mt -93.59 -33.84 13.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.51 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.5 m -81.41 160.8 64.05 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.69 0.757 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.76 179.95 20.9 Favored 'Cis proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.351 -0.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -120.87 132.68 55.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -100.75 120.74 40.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 15.7 mt -137.01 154.48 31.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.426 ' N ' ' HD2' ' A' ' 111' ' ' ARG . 4.8 mpt_? -123.99 121.76 36.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -82.91 108.23 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 69.2 p -73.03 101.58 3.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.886 ' HG2' HG21 ' A' ' 89' ' ' THR . 2.9 pp0? -107.83 164.75 11.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 71.0 p -140.7 131.75 26.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 82.68 -111.86 3.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 53.44 47.31 24.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.25 141.98 52.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.789 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 p -150.9 177.8 9.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 110.845 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -170.46 171.37 6.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.31 -169.04 12.19 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 t -165.29 163.74 20.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.887 0.375 . . . . 0.0 110.821 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -139.77 163.08 33.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.25 55.29 0.52 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -145.18 144.52 30.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.349 . . . . 0.0 110.869 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 t -107.66 82.85 1.43 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.656 0.741 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 107.43 1.86 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.679 2.252 . . . . 0.0 112.328 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -166.58 123.69 1.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -174.28 167.66 4.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.5 t -52.63 148.26 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.0 tptt -108.08 113.04 25.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.7 m -127.46 142.39 43.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.677 ' H ' HD12 ' A' ' 16' ' ' LEU . 4.2 mp -58.37 144.21 78.46 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.663 0.744 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.529 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 54.0 Cg_endo -69.72 162.14 43.2 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.4 m -92.06 -22.36 19.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.529 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 6.2 p90 -67.04 145.92 54.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.09 110.03 4.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.796 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.524 ' HB2' ' HB3' ' A' ' 98' ' ' TYR . . . -62.18 -42.02 98.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.431 ' HA ' ' CD ' ' A' ' 104' ' ' PRO . 8.7 m -48.32 -29.36 3.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.472 ' CD ' ' HB3' ' A' ' 50' ' ' ASP . 37.3 mmtt -84.65 20.56 1.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 21' ' ' ALA . 95.9 t -114.79 124.07 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.6 p -134.9 149.99 50.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -134.57 151.44 51.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.4 m -148.35 156.56 42.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.15 -173.37 23.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.535 ' O ' HG12 ' A' ' 36' ' ' VAL . 53.8 Cg_endo -69.77 -36.31 11.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.08 -30.21 46.04 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.432 HD22 ' CD2' ' A' ' 108' ' ' TYR . 7.1 mt -114.31 26.16 10.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.7 t -63.96 119.77 10.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.6 p -65.19 -39.29 92.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -59.99 -32.66 71.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.919 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.63 155.9 6.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 29' ' ' PRO . 34.0 m -116.8 148.41 42.0 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.637 0.732 . . . . 0.0 111.155 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 116.2 4.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.646 2.231 . . . . 0.0 112.372 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.74 158.4 30.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.3 m 52.2 37.41 21.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.858 HD22 ' HD2' ' A' ' 41' ' ' PRO . 1.7 tm? -143.03 127.28 9.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.551 0.691 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.858 ' HD2' HD22 ' A' ' 40' ' ' LEU . 54.4 Cg_endo -69.75 98.48 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.264 . . . . 0.0 112.354 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.548 HG13 ' CE2' ' A' ' 84' ' ' TYR . 8.6 p -109.48 143.21 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -135.56 143.51 45.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -108.39 -179.45 3.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.06 127.31 37.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.6 mt -98.28 109.58 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -98.46 116.54 30.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.734 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -112.45 125.69 54.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -95.21 -56.33 2.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.472 ' HB3' ' CD ' ' A' ' 23' ' ' LYS . 3.1 t0 -122.1 29.83 6.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.734 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -79.12 12.31 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 45.37 -128.41 8.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -139.99 122.97 16.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -157.82 169.06 34.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.506 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.6 tp -78.65 115.17 18.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.3 tp -87.01 130.48 34.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.48 ' HB3' ' OG1' ' A' ' 97' ' ' THR . . . -122.25 136.15 54.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.053 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.4 HG21 HG21 ' A' ' 82' ' ' VAL . 97.5 t -114.02 123.28 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -123.32 111.75 16.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.687 HD12 ' HB2' ' A' ' 70' ' ' ALA . 71.7 mt -112.54 127.88 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.8 p -128.97 154.6 46.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -114.64 -175.76 2.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -51.0 -27.81 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -79.49 -25.64 41.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.98 12.47 65.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.463 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -95.48 152.96 39.6 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.59 0.709 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 126.11 12.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.265 . . . . 0.0 112.384 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -92.26 177.91 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -95.09 113.26 24.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.687 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -129.06 150.31 50.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.051 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.428 ' O ' HG13 ' A' ' 82' ' ' VAL . 26.3 mt -104.41 143.57 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 p -111.15 117.41 54.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 4.8 t60 -103.0 122.26 44.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -101.37 112.39 24.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -92.76 -29.34 16.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm 57.46 27.4 13.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -122.13 23.41 9.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.12 -25.17 28.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.515 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.9 p -110.91 176.9 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.778 0.323 . . . . 0.0 111.155 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -149.0 143.74 26.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.517 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -121.37 135.52 55.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' ' 71' ' ' ILE . 61.7 t -132.93 126.02 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.0 m -103.32 139.87 38.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.569 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 7.8 p90 -150.07 127.13 11.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.6 mt -107.93 97.15 19.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.569 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.81 107.92 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.623 2.215 . . . . 0.0 112.346 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.66 -38.47 21.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -92.02 139.48 30.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.559 HG21 ' HB2' ' A' ' 114' ' ' GLN . 41.0 p -97.15 129.99 44.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 164.29 -125.55 1.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.514 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -110.61 134.72 52.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -124.78 130.43 52.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.8 ttm -119.48 120.63 37.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 18.8 mt -110.74 116.75 53.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -104.11 93.1 0.94 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.402 ' HB ' HD11 ' A' ' 103' ' ' ILE . 85.7 t -81.83 132.48 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.378 . . . . 0.0 111.158 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.48 ' OG1' ' HB3' ' A' ' 57' ' ' ALA . 34.4 p -128.33 148.85 50.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.524 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 4.8 t80 -134.45 118.1 17.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 59.3 42.39 97.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.466 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 67.87 30.98 74.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.19 117.21 7.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.403 ' HA ' HG22 ' A' ' 97' ' ' THR . 0.1 OUTLIER -68.88 132.7 47.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.484 HD12 ' HB2' ' A' ' 105' ' ' LEU . 12.8 pt -65.39 154.87 86.74 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.682 0.753 . . . . 0.0 111.081 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.431 ' CD ' ' HA ' ' A' ' 22' ' ' SER . 54.4 Cg_endo -69.74 2.94 3.07 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.713 2.276 . . . . 0.0 112.366 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.484 ' HB2' HD12 ' A' ' 103' ' ' ILE . 32.6 mt -100.2 -28.23 13.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.532 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 2.5 p -83.56 154.72 65.69 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.684 0.754 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.9 Cg_endo -69.77 -177.39 14.46 Favored 'Cis proline' 0 C--N 1.342 0.221 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.372 0.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.432 ' CD2' HD22 ' A' ' 31' ' ' LEU . 8.2 m-85 -123.21 125.67 45.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -93.1 123.43 36.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 111' ' ' ARG . 22.2 mt -142.57 157.31 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.443 ' N ' HG22 ' A' ' 110' ' ' ILE . 6.2 mpt_? -133.44 126.04 30.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -80.92 110.19 16.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.049 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 80.8 p -79.59 116.38 19.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.559 ' HB2' HG21 ' A' ' 89' ' ' THR . 39.0 tp60 -92.9 44.2 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 38.0 p -65.23 126.02 26.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.094 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 116.44 -164.8 12.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.457 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -157.21 142.07 16.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.756 0.312 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.49 137.04 47.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.1 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -179.753 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.8 m -42.0 130.66 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.866 0.365 . . . . 0.0 110.892 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.2 m -130.05 173.03 11.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.39 -178.12 44.68 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 t -144.68 134.64 23.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.92 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -91.04 162.99 14.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.77 142.79 5.98 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.5 mtp85 -111.99 -58.53 2.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.318 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 t -152.97 141.18 13.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.68 0.752 . . . . 0.0 110.857 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 149.24 66.8 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.381 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -123.42 85.9 2.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' CD ' ' O ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -154.91 164.11 39.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.403 ' O ' ' CD ' ' A' ' 12' ' ' LYS . 31.1 m -77.47 170.76 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.9 tttp -171.58 151.86 3.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -101.9 174.98 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.5 mt -41.24 146.57 0.5 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.618 0.723 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 175.92 7.42 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.379 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.7 m -115.54 -19.68 10.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -61.48 146.94 46.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -144.74 113.11 6.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.49 -46.48 83.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.063 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 m -49.21 -32.26 10.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.902 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.697 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 29.4 mmmt -87.98 33.59 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.0 t -125.8 113.4 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.654 HG22 HD11 ' A' ' 105' ' ' LEU . 64.2 p -124.95 164.14 20.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.53 149.59 39.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 m -147.04 148.76 31.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 144.59 -174.81 24.62 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.449 ' HG2' ' CG2' ' A' ' 42' ' ' VAL . 53.8 Cg_endo -69.74 -37.51 9.13 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.661 2.24 . . . . 0.0 112.374 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.87 -32.1 33.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 mt -109.29 24.9 12.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.82 0.343 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.9 t -63.45 117.52 6.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.0 p -64.32 -36.7 84.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -60.16 -34.19 73.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.41 158.5 8.09 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.55 HG21 ' OH ' ' A' ' 84' ' ' TYR . 32.5 m -118.64 148.53 44.45 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.719 . . . . 0.0 111.14 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 117.17 4.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.321 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.32 160.34 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.7 m 47.33 37.52 6.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.45 HD13 ' N ' ' A' ' 41' ' ' PRO . 0.7 OUTLIER -137.33 118.8 10.92 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.638 0.732 . . . . 0.0 110.898 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.45 ' N ' HD13 ' A' ' 40' ' ' LEU . 54.0 Cg_endo -69.72 97.17 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.376 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.503 HG13 ' CE2' ' A' ' 84' ' ' TYR . 11.4 p -106.85 143.32 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.5 p30 -133.28 145.42 50.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -110.25 -176.04 2.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.04 127.41 36.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.0 mt -97.85 103.28 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -92.97 118.88 31.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.691 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -110.97 124.63 52.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -96.33 -57.12 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.471 ' HB2' ' CE ' ' A' ' 23' ' ' LYS . 4.0 m-20 -122.66 25.61 8.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 23' ' ' LYS . . . -87.35 17.01 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.069 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.27 -131.05 2.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.557 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -137.39 127.92 26.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.953 0.406 . . . . 0.0 110.832 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.45 172.9 33.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.444 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.421 ' C ' HD23 ' A' ' 55' ' ' LEU . 6.7 tt -78.93 111.37 15.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.841 0.353 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 tp -89.04 143.6 26.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -127.03 155.34 43.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.056 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 99.7 t -124.75 117.32 49.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -120.57 111.06 17.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.617 HD12 ' HB2' ' A' ' 70' ' ' ALA . 65.6 mt -119.91 128.67 75.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.0 p -138.5 168.06 20.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.188 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.21 -176.74 2.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -51.29 -36.68 43.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -79.07 -24.29 43.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.34 32.46 7.76 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.538 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -93.55 155.37 40.75 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 147.69 63.32 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.73 2.287 . . . . 0.0 112.282 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -129.92 138.33 50.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -69.3 125.09 25.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.617 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -133.62 152.49 51.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.8 mt -110.26 145.4 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.159 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.0 p -109.93 111.16 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -97.19 111.15 23.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -98.93 126.77 44.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -107.42 -33.45 7.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.69 37.79 22.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -123.81 -13.92 7.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 138.3 -5.08 3.21 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.413 ' C ' ' CD1' ' A' ' 80' ' ' TYR . 24.5 p -137.84 176.3 8.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.769 0.319 . . . . 0.0 111.173 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 79' ' ' THR . 13.7 m-85 -145.92 144.83 30.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.977 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.35 148.85 44.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 84.5 t -143.79 114.14 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.6 m -90.28 145.53 24.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.552 ' CE1' ' HD3' ' A' ' 86' ' ' PRO . 2.3 p90 -151.55 128.21 10.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.4 ' CG1' ' HB3' ' A' ' 41' ' ' PRO . 27.7 mt -105.56 100.37 26.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.646 0.736 . . . . 0.0 111.107 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.552 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 54.1 Cg_endo -69.81 97.73 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -91.57 25.2 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -143.99 160.52 40.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.55 HG21 ' OE1' ' A' ' 114' ' ' GLN . 35.4 p -118.66 129.86 55.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 150.96 -121.62 1.25 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -117.35 129.78 56.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.799 0.333 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -112.56 114.79 27.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -100.25 126.42 46.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 72.0 mt -120.52 128.24 76.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -116.73 93.44 0.59 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.526 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.4 t -81.89 130.55 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.92 0.391 . . . . 0.0 111.12 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 21.2 p -126.54 145.37 50.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -130.85 118.28 20.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 58.06 49.11 78.22 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.531 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 60.6 36.92 92.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.474 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -154.06 118.43 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.353 . . . . 0.0 110.835 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -68.81 139.39 55.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.418 HD12 ' HB2' ' A' ' 105' ' ' LEU . 24.1 pt -71.64 151.91 93.59 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.674 0.75 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.41 2.81 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.654 HD11 HG22 ' A' ' 25' ' ' THR . 33.4 mt -99.24 -26.49 14.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.505 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.3 m -85.32 161.45 51.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.9 Cg_endo -69.75 -179.32 18.81 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.331 -0.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -121.43 130.36 53.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -97.15 122.32 40.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.508 HG22 ' N ' ' A' ' 111' ' ' ARG . 22.6 mt -143.18 161.42 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.508 ' N ' HG22 ' A' ' 110' ' ' ILE . 0.3 OUTLIER -148.01 145.74 28.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -91.3 138.88 31.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.088 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 73.1 p -106.89 94.49 5.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.55 ' OE1' HG21 ' A' ' 89' ' ' THR . 11.4 pt20 -78.27 46.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 115' ' ' THR . 8.9 t -99.75 124.91 45.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 79.02 44.38 9.93 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -82.82 163.23 21.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.825 0.345 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.82 132.56 54.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 72.5 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.784 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 p -172.99 142.66 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.891 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 p -93.52 155.64 17.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.2 127.79 1.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.1 p -144.66 114.34 7.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.9 0.381 . . . . 0.0 110.872 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 p -109.99 158.24 18.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.42 129.61 1.1 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.8 mmm-85 -103.44 -36.79 7.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.339 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.436 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 1.8 m 58.2 54.68 6.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.648 0.737 . . . . 0.0 110.829 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 9' ' ' SER . 53.5 Cg_endo -69.78 115.17 3.97 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.5 ' CD2' ' O ' ' A' ' 11' ' ' PHE . 28.2 p90 -112.89 85.68 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -145.6 174.18 11.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -80.5 160.0 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.17 146.72 29.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.8 m -126.2 170.24 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.556 HD23 ' H ' ' A' ' 16' ' ' LEU . 2.4 pt? -66.42 142.21 97.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.57 0.7 . . . . 0.0 110.95 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.585 ' HB2' ' CD1' ' A' ' 19' ' ' TYR . 53.6 Cg_endo -69.84 153.1 68.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.615 2.21 . . . . 0.0 112.355 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.5 m -71.4 -34.86 70.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.144 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.585 ' CD1' ' HB2' ' A' ' 17' ' ' PRO . 14.1 p90 -69.56 157.78 36.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -146.61 120.19 9.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.592 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -68.56 -44.8 73.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -52.55 -28.58 21.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.817 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -87.69 28.78 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 70.6 t -120.87 129.85 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.4 p -144.01 166.37 25.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.23 154.54 43.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.3 m -148.76 148.73 30.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.37 -173.45 24.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.631 ' O ' HG12 ' A' ' 36' ' ' VAL . 54.1 Cg_endo -69.69 -37.07 9.85 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.713 2.275 . . . . 0.0 112.35 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.81 -29.46 54.82 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 mt -117.35 25.42 10.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.953 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.3 t -67.63 109.77 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 t -52.84 -35.73 57.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -59.84 -32.98 71.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.955 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.31 157.88 7.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 29' ' ' PRO . 26.9 m -120.08 150.38 51.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 111.142 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 115.31 4.03 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.25 . . . . 0.0 112.336 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.58 163.37 5.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.093 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.3 t 41.1 42.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.812 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.684 HD13 ' HD2' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -143.67 124.56 7.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.575 0.702 . . . . 0.0 110.895 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.684 ' HD2' HD13 ' A' ' 40' ' ' LEU . 54.2 Cg_endo -69.71 97.81 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.375 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.682 HG13 ' CE2' ' A' ' 84' ' ' TYR . 9.2 p -107.03 148.07 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -138.06 139.32 39.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.568 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 8.1 p90 -107.35 -176.2 3.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.61 132.24 46.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.2 mt -107.68 110.23 31.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -107.1 120.43 42.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.824 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -108.91 125.69 52.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -94.96 -55.63 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -121.96 32.08 5.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.824 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -93.65 -21.48 19.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.9 -140.08 35.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -121.3 134.55 55.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -163.46 159.18 31.77 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.8 tp -59.25 106.62 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.374 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.3 tp -93.4 140.58 29.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.56 154.63 45.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.081 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.9 t -121.47 123.14 68.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -125.28 112.98 17.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.609 HD12 ' HB2' ' A' ' 70' ' ' ALA . 78.4 mt -116.77 140.91 37.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.0 p -137.61 171.71 14.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.03 -175.17 2.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -53.43 -37.68 62.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -81.33 -25.76 36.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.35 40.77 3.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.445 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -96.53 156.3 36.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.569 0.699 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 127.64 14.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.636 2.224 . . . . 0.0 112.354 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -115.98 141.04 48.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -76.64 132.36 39.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.609 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -133.86 149.23 51.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.9 mt -93.12 149.24 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.17 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.459 ' O ' HG13 ' A' ' 72' ' ' VAL . 14.4 p -124.64 125.08 69.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -116.01 136.2 53.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -111.11 121.62 45.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -103.63 -36.53 7.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? 64.77 36.38 8.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -131.74 30.6 4.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 80.09 22.47 63.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.511 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.3 p -148.6 176.19 10.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 111.085 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -152.04 136.38 16.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -113.38 143.25 44.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.568 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 69.3 t -141.47 127.58 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.7 m -109.38 145.88 35.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.682 ' CE2' HG13 ' A' ' 42' ' ' VAL . 9.2 p90 -151.43 134.26 15.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.417 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 43.1 mt -108.76 96.55 20.31 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.634 0.73 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.569 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.7 Cg_endo -69.75 91.14 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -93.84 33.33 1.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -153.8 127.96 9.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.1 p -78.94 129.83 34.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 153.07 -143.55 10.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -110.57 136.06 50.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.866 0.365 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -114.15 124.38 51.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -105.89 110.43 22.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 45.0 mt -103.17 124.54 57.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.16 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -110.34 91.56 0.63 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 98.3 t -79.01 130.97 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.946 0.403 . . . . 0.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 29.2 p -129.94 145.49 51.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -133.67 119.51 19.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.419 ' HA3' ' CE2' ' A' ' 19' ' ' TYR . . . 59.99 45.14 96.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 62.52 35.05 91.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -150.35 119.78 6.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -75.01 139.61 43.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 21' ' ' ALA . 23.2 pt -74.07 153.7 88.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.589 0.709 . . . . 0.0 111.161 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 3.07 2.97 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.516 ' HB2' HD12 ' A' ' 103' ' ' ILE . 4.2 mm? -95.95 -31.79 12.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.508 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.5 m -83.23 160.92 58.86 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.673 0.749 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 106' ' ' SER . 54.0 Cg_endo -69.78 170.82 56.71 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.322 0.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -110.33 127.69 55.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -97.57 120.37 37.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 30.6 mt -136.05 150.32 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -122.08 117.04 25.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.14 99.21 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 71.2 p -71.61 124.26 24.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? -97.53 147.22 24.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 69.0 m -155.74 105.37 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -116.38 -170.46 15.69 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.7 172.51 12.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.05 107.29 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.795 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -162.2 165.7 26.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.911 0.386 . . . . 0.0 110.838 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 p -170.97 177.72 3.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.32 173.81 29.06 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -154.54 169.63 23.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 110.898 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -131.42 159.59 37.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.829 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.37 96.26 0.12 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.456 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -134.18 136.8 43.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 m -172.73 143.39 1.17 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.662 0.744 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -165.74 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.294 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 11' ' ' PHE . 29.6 p90 -128.56 89.65 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -138.75 172.23 13.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.3 p -55.85 149.19 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.166 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.47 113.68 25.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.8 m -100.49 167.58 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.0 mt -49.78 143.83 10.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 0.0 110.941 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.546 ' HB2' ' CD1' ' A' ' 19' ' ' TYR . 53.7 Cg_endo -69.82 151.16 68.67 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.7 m -67.63 -33.94 75.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.546 ' CD1' ' HB2' ' A' ' 17' ' ' PRO . 29.5 p90 -77.72 165.17 24.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -149.74 126.86 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.57 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -74.44 -56.22 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.074 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.7 t -51.24 -22.44 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -83.15 20.04 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 68.0 t -116.05 126.85 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.1 p -132.73 132.35 42.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.57 145.25 41.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.2 m -147.53 152.11 37.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.75 -174.12 23.68 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.518 ' O ' HG12 ' A' ' 36' ' ' VAL . 54.0 Cg_endo -69.71 -34.58 14.46 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.661 2.241 . . . . 0.0 112.393 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.77 -19.42 58.45 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mt -121.13 24.47 10.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 0.0 110.937 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.2 t -71.1 111.42 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.7 p -57.26 -29.24 63.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -64.35 -32.61 74.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.9 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.7 157.85 7.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 29' ' ' PRO . 16.1 m -121.58 146.84 46.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.603 0.715 . . . . 0.0 111.123 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 120.24 7.06 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.715 2.277 . . . . 0.0 112.313 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 39' ' ' SER . . . -63.2 171.42 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' ALA . 51.9 m 36.21 37.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.8 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.716 HD22 ' HD2' ' A' ' 41' ' ' PRO . 1.5 tm? -137.69 123.77 13.05 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.63 0.728 . . . . 0.0 110.94 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.716 ' HD2' HD22 ' A' ' 40' ' ' LEU . 53.4 Cg_endo -69.77 98.01 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 p -109.36 144.96 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -138.96 139.21 37.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.442 ' HE2' HD11 ' A' ' 46' ' ' ILE . 30.9 p90 -104.79 -176.41 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.64 133.86 42.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.063 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.442 HD11 ' HE2' ' A' ' 44' ' ' PHE . 36.2 mt -108.42 106.72 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.91 120.08 39.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.972 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -115.06 125.69 53.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -95.05 -52.44 4.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -118.08 28.75 8.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.972 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -89.79 -20.7 23.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.12 -136.69 43.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -120.66 141.25 50.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.28 146.9 10.21 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.466 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 tt -51.55 105.99 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.943 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.9 tp -86.5 136.87 32.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.21 138.69 49.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.9 t -112.46 108.67 26.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -110.02 117.48 33.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.555 HD12 ' HB2' ' A' ' 70' ' ' ALA . 69.6 mt -124.56 130.21 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.9 p -136.19 153.76 51.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.1 p30 -114.62 -175.82 2.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.435 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -52.36 -25.83 10.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.435 ' N ' ' OE1' ' A' ' 63' ' ' GLN . 4.6 tp10 -82.45 -23.51 34.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.81 10.14 73.16 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.6 pttt -91.94 152.87 43.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.524 0.678 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 132.05 22.58 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.691 2.261 . . . . 0.0 112.37 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -104.19 150.04 24.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.2 ttm-85 -71.35 121.08 17.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.555 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -134.35 146.98 50.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.9 mt -98.39 141.52 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.6 p -106.06 119.93 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.862 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 1.8 t60 -99.9 123.38 44.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -114.79 111.4 21.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -92.41 -28.61 16.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? 53.65 32.02 13.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -122.91 -10.37 8.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 129.96 22.81 1.1 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.6 p -152.76 178.02 10.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 111.12 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -152.15 125.31 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.862 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -113.1 148.55 35.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 31.9 t -142.62 121.08 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.5 m -100.39 140.02 35.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -148.72 136.56 20.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.423 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 31.0 mt -108.66 104.45 54.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.585 0.707 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 85' ' ' ILE . 53.7 Cg_endo -69.79 88.14 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.56 -57.86 7.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.814 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -74.08 171.67 13.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.68 HG21 ' OE1' ' A' ' 114' ' ' GLN . 42.8 p -123.6 134.45 53.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.103 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 152.42 -121.71 1.21 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.428 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -114.6 141.11 48.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -125.0 127.47 47.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 50.6 ttm -110.64 126.4 54.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 51.8 mt -122.39 124.85 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -113.07 94.4 0.72 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.9 t -80.62 130.66 35.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 111.145 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.574 HG22 ' HB3' ' A' ' 102' ' ' ASP . 17.7 p -129.07 149.36 50.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -139.87 116.9 11.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.482 ' HA3' ' CE2' ' A' ' 19' ' ' TYR . . . 62.36 44.65 97.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.469 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 64.9 26.58 71.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -141.84 118.84 11.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.574 ' HB3' HG22 ' A' ' 97' ' ' THR . 1.1 p30 -81.93 130.44 35.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.57 HG22 ' O ' ' A' ' 21' ' ' ALA . 13.7 pt -59.56 153.29 51.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 111.162 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 3.01 3.02 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -97.08 -25.01 15.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.529 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 4.9 p -82.92 153.35 67.01 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.684 0.754 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.79 -176.94 13.53 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.317 0.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -119.83 131.98 55.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 29.9 mmm-85 -95.96 121.05 37.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.846 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.3 mt -139.68 151.71 22.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -130.11 131.14 45.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.69 119.97 29.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 80.6 p -100.4 101.67 12.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.68 ' OE1' HG21 ' A' ' 89' ' ' THR . 5.9 pt20 -85.31 120.97 27.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 7.2 p -123.05 102.38 7.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 67.49 78.15 0.29 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.52 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -61.29 -53.85 51.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -80.19 128.31 33.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 67.1 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.769 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 t -168.82 118.68 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.872 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 m -158.62 174.26 15.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.68 130.17 1.61 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -161.84 164.91 28.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.858 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -170.84 166.14 7.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.807 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.87 147.85 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.498 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -172.75 107.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 110.814 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -106.6 131.57 21.6 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.625 0.726 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' PHE . 53.0 Cg_endo -69.84 -19.66 35.48 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.328 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' PRO . 10.0 t80 38.25 41.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -84.1 41.79 0.84 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.7 m -100.68 130.39 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.46 81.98 2.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.9 m -123.43 151.18 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.3 mt -70.7 143.95 90.39 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.626 0.727 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.592 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 53.9 Cg_endo -69.76 149.97 67.56 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.728 2.285 . . . . 0.0 112.368 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.4 m -66.48 -36.52 82.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.592 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 18.5 p90 -68.77 176.62 2.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -168.31 132.77 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.439 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -80.71 -45.8 16.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 82.4 p -49.32 -31.88 10.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -88.15 24.65 1.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.2 t -113.36 128.8 69.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.0 p -137.91 160.3 39.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.169 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.46 147.72 40.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.0 p -147.6 151.42 36.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.25 -178.17 21.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -34.93 13.51 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.735 2.29 . . . . 0.0 112.354 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.12 -31.84 56.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.0 mt -108.86 25.11 12.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.818 0.342 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.7 t -65.45 125.27 24.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.3 m -72.01 -35.41 69.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.824 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -61.29 -33.52 73.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.29 154.83 6.46 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.4 m -117.38 151.92 48.66 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.647 0.737 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 116.59 4.63 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.87 161.22 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.086 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t 38.93 45.81 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.729 HD13 ' HD2' ' A' ' 41' ' ' PRO . 0.4 OUTLIER -141.03 128.76 12.15 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.659 0.742 . . . . 0.0 110.927 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.729 ' HD2' HD13 ' A' ' 40' ' ' LEU . 54.1 Cg_endo -69.77 98.4 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.458 HG13 ' CE2' ' A' ' 84' ' ' TYR . 6.8 p -110.66 149.16 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -143.45 147.41 34.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.567 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 13.2 p90 -113.09 -179.84 3.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.57 133.89 50.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.057 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 30.5 mt -108.22 100.09 10.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -95.09 117.91 30.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.796 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -109.97 125.53 52.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -95.29 -55.77 2.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.15 32.27 5.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.796 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -95.63 -23.91 16.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.049 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.47 -140.23 33.28 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -122.46 132.47 54.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.51 173.93 34.28 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.429 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mt -67.01 99.37 0.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.1 tp -85.91 131.17 34.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.88 153.86 50.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.63 HG11 HG11 ' A' ' 82' ' ' VAL . 94.3 t -131.14 104.72 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -106.09 107.21 18.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.8 mt -111.12 131.22 62.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.1 p -136.8 168.98 18.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.0 -178.64 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -51.09 -38.34 51.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -81.79 -25.78 34.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.5 34.63 5.73 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -90.41 153.39 46.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 123.81 10.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.661 2.241 . . . . 0.0 112.351 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -105.79 159.09 16.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.2 ttm-85 -79.02 125.4 29.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.53 124.55 27.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.2 mt -100.19 147.59 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.4 p -115.66 125.74 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -112.46 134.09 54.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.1 117.94 35.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -101.49 -30.84 11.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.31 30.25 19.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -125.33 30.1 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.17 25.91 58.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.3 p -152.14 174.48 13.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.776 0.322 . . . . 0.0 111.162 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -152.06 134.33 15.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.93 145.84 38.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.062 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.63 HG11 HG11 ' A' ' 58' ' ' VAL . 59.9 t -139.39 117.3 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.6 m -98.69 144.16 28.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.571 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 7.0 p90 -150.19 132.67 15.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 62.3 mt -106.29 98.2 18.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.584 0.707 . . . . 0.0 111.16 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.571 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.82 98.44 0.69 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -62.73 -66.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -82.89 164.83 20.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.0 p -110.16 140.61 44.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 157.38 -143.65 9.77 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.3 mtt-85 -90.54 125.11 35.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.794 0.33 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -113.85 120.86 42.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 12.1 tpp -108.16 126.17 52.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 50.0 mt -121.86 141.14 43.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.155 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -123.08 96.59 0.55 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.0 t -84.47 118.58 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.955 0.407 . . . . 0.0 111.112 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.1 p -118.94 144.61 46.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -135.66 114.64 12.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.961 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.472 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . 63.32 46.69 92.26 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 59.99 32.92 76.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -148.2 117.38 6.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.02 139.19 39.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.505 HD12 ' HB2' ' A' ' 105' ' ' LEU . 9.3 pt -71.66 155.38 92.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.634 0.731 . . . . 0.0 111.097 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 2.74 3.24 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.67 2.247 . . . . 0.0 112.376 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.505 ' HB2' HD12 ' A' ' 103' ' ' ILE . 4.6 mm? -101.88 -29.82 11.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.539 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 2.9 p -78.49 154.53 79.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.682 0.753 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 106' ' ' SER . 54.1 Cg_endo -69.71 -177.25 14.07 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.368 -0.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.4 ' HE1' HD11 ' A' ' 103' ' ' ILE . 35.8 m-85 -115.79 125.78 53.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.944 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 44.5 mtt-85 -88.64 122.91 32.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.437 HG22 ' N ' ' A' ' 111' ' ' ARG . 19.8 mt -143.91 157.46 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.437 ' N ' HG22 ' A' ' 110' ' ' ILE . 7.6 ptm180 -144.65 130.76 19.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.08 117.07 26.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.9 t -104.52 137.91 41.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -115.26 121.43 42.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 52.5 m -129.1 110.8 12.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 161.62 99.7 0.15 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.53 146.56 48.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.866 0.365 . . . . 0.0 110.848 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -133.92 121.74 22.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.782 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -162.93 177.37 9.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.854 0.359 . . . . 0.0 110.85 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -161.26 175.23 12.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.06 148.47 4.79 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 t -155.43 159.08 39.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 110.865 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -103.5 -64.14 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.823 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.6 101.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.7 mtt85 -153.38 156.44 38.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 99.3 p -136.86 150.57 70.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.612 0.72 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 92.73 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 11' ' ' PHE . 1.4 p90 -174.28 118.64 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -150.77 113.69 4.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.3 p -91.21 135.05 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -92.79 115.86 28.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.6 m -129.37 -178.64 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mp -97.77 143.96 27.15 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.718 . . . . 0.0 110.936 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.448 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 53.4 Cg_endo -69.77 162.82 40.63 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.66 2.24 . . . . 0.0 112.305 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.3 m -94.5 -23.85 17.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.448 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 4.7 p90 -65.43 147.5 53.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -148.11 108.69 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.512 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -58.4 -41.36 84.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.2 p -52.51 -27.59 17.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.515 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 70.8 mmtt -91.24 33.45 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.933 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.8 t -117.68 122.19 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.4 p -142.12 151.01 41.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.163 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -135.77 152.23 50.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.073 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.9 m -145.74 152.51 39.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.99 -173.15 23.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -35.61 12.4 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.722 2.281 . . . . 0.0 112.324 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.95 -25.27 45.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.7 mt -118.11 20.98 13.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.822 0.344 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.2 t -62.38 117.28 5.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.7 p -67.01 -32.42 73.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -62.69 -30.15 71.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.02 155.51 7.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.448 HG21 ' OH ' ' A' ' 84' ' ' TYR . 17.4 m -122.58 150.77 58.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.602 0.715 . . . . 0.0 111.136 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 114.85 3.84 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.94 166.26 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t 38.58 43.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.822 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.827 HD13 ' HD2' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -141.8 128.0 11.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 0.0 110.897 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.827 ' HD2' HD13 ' A' ' 40' ' ' LEU . 54.0 Cg_endo -69.79 97.42 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.635 2.223 . . . . 0.0 112.332 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.626 HG13 ' CE2' ' A' ' 84' ' ' TYR . 9.2 p -111.6 143.1 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.3 152.13 50.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -117.76 -176.38 3.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.46 127.71 35.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.051 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.3 mt -96.97 101.96 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -90.68 117.15 29.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.725 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -107.93 125.17 51.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -95.73 -57.23 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -122.81 26.2 8.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.725 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -83.57 17.25 2.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.85 -137.07 1.03 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -131.72 119.77 21.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.924 0.393 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -150.53 172.65 30.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.5 tp -76.28 110.89 11.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.884 0.373 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.6 tp -88.2 136.19 33.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.405 ' HB3' ' OG1' ' A' ' 97' ' ' THR . . . -128.21 143.36 51.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.596 HG21 HG21 ' A' ' 82' ' ' VAL . 89.6 t -121.47 142.01 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -142.65 124.03 14.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.645 HD12 ' HB2' ' A' ' 70' ' ' ALA . 93.4 mt -123.43 140.6 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.8 p -141.12 166.14 25.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.09 -176.13 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -54.33 -36.67 64.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -82.19 -25.68 34.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.56 33.31 5.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -96.82 153.24 38.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.64 0.733 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 127.65 14.93 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -113.58 139.96 48.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -55.73 117.38 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.645 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -126.75 129.65 48.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.059 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.7 mt -94.52 134.95 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 97.2 t -106.17 105.53 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.813 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 2.6 t-80 -83.98 133.06 34.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -112.41 117.57 32.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -103.0 -35.47 8.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm 60.56 29.44 19.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -126.65 32.2 5.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.09 24.24 57.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.1 p -152.64 172.52 16.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 111.115 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -150.21 140.4 22.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.813 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -121.82 145.42 48.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.596 HG21 HG21 ' A' ' 58' ' ' VAL . 58.1 t -142.13 124.64 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.7 m -105.1 144.84 31.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.626 ' CE2' HG13 ' A' ' 42' ' ' VAL . 7.8 p90 -148.67 138.88 22.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.433 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 19.5 mt -114.29 99.97 51.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.617 0.723 . . . . 0.0 111.125 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.564 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.75 93.43 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.679 2.252 . . . . 0.0 112.332 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -52.74 -62.22 1.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -95.68 175.4 6.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 46.3 p -106.37 167.19 10.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.171 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 133.92 -128.39 4.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.44 145.51 44.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 110.897 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -130.0 129.97 44.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.2 tpt -108.19 123.93 49.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 36.4 mt -122.63 125.83 73.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.49 105.84 1.59 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.453 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.8 t -94.0 129.44 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.382 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.47 HG22 ' HB3' ' A' ' 102' ' ' ASP . 27.7 p -124.63 143.05 50.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -130.57 126.3 36.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 52.49 43.32 58.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.446 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 64.15 32.4 84.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -148.23 117.46 6.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.827 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.47 ' HB3' HG22 ' A' ' 97' ' ' THR . 0.9 OUTLIER -78.24 141.27 38.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.512 HG22 ' O ' ' A' ' 21' ' ' ALA . 12.1 pt -71.51 155.08 93.03 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.721 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 3.2 2.93 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.655 2.236 . . . . 0.0 112.298 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.504 ' HB2' HD12 ' A' ' 103' ' ' ILE . 62.2 mt -104.29 -24.04 13.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.541 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 4.6 p -83.25 153.65 66.12 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.646 0.736 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.7 Cg_endo -69.73 179.4 22.35 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.346 -0.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.5 ' HE1' HD11 ' A' ' 103' ' ' ILE . 29.7 m-85 -109.92 138.38 46.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -101.92 127.79 48.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 15.3 mt -145.35 148.4 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 46.4 mtt85 -123.65 114.46 20.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.01 107.85 12.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.1 t -104.5 147.25 27.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.0 -40.42 3.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 3.9 m 48.79 51.53 15.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -135.38 -115.36 1.49 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.502 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.89 175.23 5.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.895 0.378 . . . . 0.0 110.816 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -162.06 161.05 28.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.766 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -170.21 130.28 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.896 0.379 . . . . 0.0 110.812 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.7 p -169.12 175.82 5.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.841 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.31 151.43 7.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.52 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -172.18 106.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 110.837 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.1 p -149.55 159.43 44.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.56 69.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.5 mtp-105 -149.21 135.24 18.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.4 p -134.46 85.79 36.75 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.692 0.758 . . . . 0.0 110.839 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 168.36 21.72 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.348 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.459 ' O ' ' CG ' ' A' ' 11' ' ' PHE . 10.1 p90 -160.42 121.35 2.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -172.21 162.42 5.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.527 ' O ' HG23 ' A' ' 13' ' ' VAL . 31.5 m -37.91 117.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -70.51 114.92 9.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.0 m -132.38 150.01 32.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.716 ' H ' HD12 ' A' ' 16' ' ' LEU . 4.5 mp -50.24 145.43 10.0 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.605 0.717 . . . . 0.0 110.953 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.56 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 53.3 Cg_endo -69.8 157.52 60.02 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.298 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.2 m -82.17 -27.95 32.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.56 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 4.0 p90 -63.72 151.83 40.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.959 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.08 119.34 8.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.638 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -64.04 -51.04 66.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.9 m -48.73 -29.69 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.586 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 43.7 mmtt -85.85 27.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.5 t -116.56 117.43 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.2 p -127.48 153.99 45.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.69 145.84 45.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 87.7 p -138.72 154.79 48.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.96 179.6 18.44 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 -33.33 17.03 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.276 . . . . 0.0 112.35 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.1 -35.08 67.94 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.0 mt -103.16 23.18 12.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.822 0.344 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.7 t -70.54 116.54 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.8 m -85.87 26.88 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -114.45 -34.13 5.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.27 125.29 1.67 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 111' ' ' ARG . 34.4 m -110.11 148.87 39.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.729 . . . . 0.0 111.102 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 122.26 8.94 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.345 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.439 ' CB ' HG22 ' A' ' 89' ' ' THR . . . -61.01 163.18 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.6 t 40.75 40.79 1.02 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.672 HD22 ' HD2' ' A' ' 41' ' ' PRO . 1.3 tm? -132.9 122.82 17.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.559 0.695 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.672 ' HD2' HD22 ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.72 98.05 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.542 HG13 ' CE2' ' A' ' 84' ' ' TYR . 5.4 p -110.18 149.78 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.07 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -143.0 141.26 31.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.522 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 7.6 p90 -104.62 -178.45 3.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.93 128.51 48.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.3 mt -101.63 104.15 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.173 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.86 120.7 41.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.727 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -109.27 125.29 52.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.053 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -95.56 -56.79 2.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -122.31 24.01 9.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.727 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -88.95 -5.34 58.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 46.85 -147.47 3.13 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -100.26 129.83 46.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.923 0.392 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.598 ' N ' ' CE2' ' A' ' 98' ' ' TYR . . . -158.77 144.6 10.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tt -52.06 111.34 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.6 tp -91.73 144.18 25.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.56 140.14 24.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.844 HG11 HG11 ' A' ' 82' ' ' VAL . 93.5 t -118.94 107.34 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -107.49 106.86 17.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.584 HD12 ' HB2' ' A' ' 70' ' ' ALA . 78.8 mt -108.96 131.72 58.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 p -131.98 169.49 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.05 -175.12 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -55.19 -36.1 65.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -83.16 -25.61 31.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.95 44.02 2.32 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.474 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.3 mmtm -103.25 157.52 33.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.607 0.718 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 132.84 24.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.682 2.254 . . . . 0.0 112.396 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -117.37 158.39 24.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -79.19 120.71 24.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.584 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -129.42 130.41 45.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.8 mt -94.68 142.46 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.1 t -112.53 119.59 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.412 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 2.8 t-80 -106.02 139.74 40.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -113.78 119.01 35.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -102.86 -30.06 11.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm 61.11 27.86 17.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -122.69 28.12 7.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.96 7.29 87.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.521 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.2 p -133.43 170.78 14.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.8 0.333 . . . . 0.0 111.164 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -149.13 136.78 20.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.412 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -113.76 143.64 44.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.844 HG11 HG11 ' A' ' 58' ' ' VAL . 50.6 t -135.06 119.79 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.8 m -100.21 142.28 31.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.566 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 10.0 p90 -150.38 136.79 18.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.8 mt -114.14 99.69 51.19 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.623 0.725 . . . . 0.0 111.135 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.566 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.1 Cg_endo -69.79 110.57 2.59 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.33 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -85.08 -58.47 2.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -85.39 90.77 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.439 HG22 ' CB ' ' A' ' 38' ' ' ALA . 64.1 p -46.82 149.83 0.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.427 ' H ' ' HB3' ' A' ' 112' ' ' ALA . . . 142.89 -146.29 16.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.524 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -78.71 136.75 37.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -132.34 112.5 12.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 38.2 ttm -102.95 131.27 50.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 55.1 mt -125.1 133.99 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -121.63 98.76 0.66 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.467 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.5 t -79.65 151.32 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.955 0.407 . . . . 0.0 111.119 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.8 p -148.52 146.64 28.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.598 ' CE2' ' N ' ' A' ' 54' ' ' GLY . 4.4 t80 -138.71 112.94 8.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 68.16 44.9 74.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.0 30.65 78.11 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.509 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -148.35 121.24 8.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.52 151.91 37.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.638 HG22 ' O ' ' A' ' 21' ' ' ALA . 4.6 pt -82.55 157.11 67.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.68 0.752 . . . . 0.0 111.075 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 4.07 2.4 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.722 2.281 . . . . 0.0 112.302 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.514 ' HB2' HD12 ' A' ' 103' ' ' ILE . 86.2 mt -99.52 -36.32 9.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.541 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 59.1 p -70.83 152.84 95.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.669 0.747 . . . . 0.0 110.846 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.2 Cg_endo -69.8 -176.37 12.57 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.297 0.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -121.9 131.44 54.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -94.09 123.61 37.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 13.0 mt -144.75 147.12 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.499 ' O ' HG22 ' A' ' 36' ' ' VAL . 32.9 mtt-85 -123.05 148.99 44.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.427 ' HB3' ' H ' ' A' ' 90' ' ' GLY . . . -114.81 109.51 18.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.9 t -104.34 147.43 27.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.104 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.93 136.27 47.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.45 HG23 ' N ' ' A' ' 116' ' ' GLY . 10.2 t -130.53 -43.2 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.45 ' N ' HG23 ' A' ' 115' ' ' THR . . . -84.09 126.97 7.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.465 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -89.96 86.87 6.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.351 . . . . 0.0 110.83 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.5 144.12 4.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.764 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m 66.06 41.66 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.907 0.384 . . . . 0.0 110.849 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -77.51 -56.79 4.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.96 -162.48 0.14 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -161.74 150.18 15.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -153.99 164.59 38.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.82 61.76 0.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.12 91.99 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 0.0 110.812 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.42 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 37.5 m -110.62 93.07 15.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.639 0.733 . . . . 0.0 110.879 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.53 ' O ' ' CG ' ' A' ' 11' ' ' PHE . 53.9 Cg_endo -69.72 155.13 66.86 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.667 2.245 . . . . 0.0 112.297 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.53 ' CG ' ' O ' ' A' ' 10' ' ' PRO . 64.1 m-85 -164.43 135.85 4.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -153.19 140.72 19.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.693 HG12 HG13 ' A' ' 15' ' ' VAL . 58.7 t -137.7 145.97 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -90.21 78.55 6.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.693 HG13 HG12 ' A' ' 13' ' ' VAL . 25.7 m -130.64 126.72 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.746 HD23 ' H ' ' A' ' 16' ' ' LEU . 1.4 pt? -54.56 142.52 51.61 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.656 0.741 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.415 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 53.7 Cg_endo -69.72 171.21 14.83 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 89.4 m -105.09 -21.85 13.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.426 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 4.9 p90 -58.64 167.91 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -156.7 133.33 10.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.663 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -76.59 -44.83 32.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.07 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -57.52 -28.5 63.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.533 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 17.5 mmtp -84.46 28.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.8 t -120.87 127.7 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.4 p -136.05 142.81 44.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.17 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.451 ' HB1' HD11 ' A' ' 31' ' ' LEU . . . -119.56 142.58 48.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.9 m -145.19 133.97 22.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.79 -176.45 37.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.452 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -32.57 18.01 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.282 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.455 ' O ' HD13 ' A' ' 110' ' ' ILE . . . -59.47 -29.65 66.88 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.451 HD11 ' HB1' ' A' ' 26' ' ' ALA . 6.7 mt -106.88 27.81 8.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.2 t -73.99 116.26 14.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.9 p -83.62 13.32 4.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -101.25 -29.91 11.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.23 124.6 2.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.1 m -110.72 150.69 42.13 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.576 0.703 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 127.06 14.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.707 2.271 . . . . 0.0 112.356 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.427 ' HB3' ' HB2' ' A' ' 114' ' ' GLN . . . -74.3 142.95 45.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.5 m 63.32 30.04 15.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 40' ' ' LEU . 3.8 mm? -122.78 135.33 25.64 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.667 0.746 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 96.16 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.56 HG13 ' CE2' ' A' ' 84' ' ' TYR . 9.3 p -114.02 143.65 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -143.32 143.53 31.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.546 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 7.9 p90 -105.69 175.54 5.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.33 135.24 55.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.3 mt -110.22 111.36 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.18 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.68 120.97 43.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.76 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -109.86 125.53 52.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -95.32 -56.49 2.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.414 ' HB3' ' HZ3' ' A' ' 23' ' ' LYS . 3.0 t70 -115.27 -7.35 12.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.76 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -57.98 -16.91 14.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.48 -145.28 42.37 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -111.88 137.24 50.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.84 168.0 40.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.8 tp -65.1 105.61 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 110.895 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.9 tp -93.89 140.26 29.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -142.55 148.39 37.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.027 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.684 HG21 HG21 ' A' ' 82' ' ' VAL . 83.9 t -126.24 114.57 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -110.39 111.35 22.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 60.3 mt -112.01 132.76 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 p -136.59 162.16 33.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.29 -179.53 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -50.96 -41.56 59.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -86.63 -25.71 24.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.36 46.8 0.84 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -97.43 152.93 38.49 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.708 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 136.92 34.08 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.337 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.75 131.76 53.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.5 ttm-85 -60.46 122.93 15.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.07 135.7 52.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.054 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.6 mt -106.51 140.91 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 93.7 t -110.17 109.05 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -99.43 115.8 30.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.8 119.87 28.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -99.46 -32.72 10.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt 57.98 29.14 17.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -124.64 29.2 6.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.3 23.87 58.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 39.3 p -151.91 176.75 11.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 111.148 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -152.04 137.94 18.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -114.83 146.32 41.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.684 HG21 HG21 ' A' ' 58' ' ' VAL . 58.3 t -138.53 113.81 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.7 m -96.92 144.95 26.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.566 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 8.4 p90 -151.43 131.59 13.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 74.4 mt -109.24 99.02 34.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.579 0.704 . . . . 0.0 111.148 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.566 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.8 Cg_endo -69.8 98.24 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.636 2.224 . . . . 0.0 112.337 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -64.28 -60.3 3.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.8 mttp -81.31 174.11 11.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.3 p -116.1 142.32 46.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.87 178.58 21.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.49 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.3 ttp-105 -63.02 117.83 7.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -102.83 122.99 45.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 28.6 tpp -100.66 129.25 46.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 53.5 mt -126.81 131.77 70.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -121.07 100.97 0.77 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.4 t -86.8 139.72 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.4 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.8 p -131.79 146.13 51.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -130.36 120.57 24.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.9 46.11 84.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.1 34.72 90.72 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.443 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.41 118.64 5.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.852 0.358 . . . . 0.0 110.834 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.51 144.27 49.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.663 HG22 ' O ' ' A' ' 21' ' ' ALA . 18.8 pt -81.31 153.24 71.42 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.661 0.743 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 5.56 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.539 ' HB2' HD12 ' A' ' 103' ' ' ILE . 94.2 mt -99.81 -32.07 11.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.504 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.6 m -83.28 160.63 59.35 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.68 0.752 . . . . 0.0 110.843 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.7 Cg_endo -69.81 -179.04 18.15 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.341 0.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -120.91 130.0 53.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.82 131.79 43.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.455 HD13 ' O ' ' A' ' 30' ' ' GLY . 10.8 mt -147.2 149.3 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 -124.24 125.6 44.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.65 110.88 21.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.3 p -89.74 123.24 33.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.427 ' HB2' ' HB3' ' A' ' 38' ' ' ALA . 4.7 tp60 -122.45 101.18 7.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 26.2 m -158.2 117.22 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -157.63 133.3 3.48 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -58.43 154.1 14.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -131.0 -58.15 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.7 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.776 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -117.34 103.91 10.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -146.58 175.06 10.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.914 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.34 153.53 7.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -162.57 142.63 9.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -134.57 175.63 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.58 152.41 16.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.3 ttt85 -112.87 85.62 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 m -48.02 158.62 0.54 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 110.879 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -23.33 30.63 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.342 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 44.02 42.71 4.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.93 65.07 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.657 ' CG1' HG22 ' A' ' 15' ' ' VAL . 95.0 t -133.29 142.05 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -132.37 52.48 2.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.657 HG22 ' CG1' ' A' ' 13' ' ' VAL . 32.8 m -133.16 144.52 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.0 mt -56.04 143.72 61.57 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.611 0.719 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 53.2 Cg_endo -69.82 160.58 49.16 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.311 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.8 m -89.05 -26.01 21.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.159 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.438 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 3.6 p90 -67.8 148.42 51.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -148.78 110.83 4.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.712 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -64.63 -44.54 90.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.063 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.5 p -51.31 -33.04 27.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.571 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 8.9 mmmm -87.52 34.79 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.492 ' HB ' HG21 ' A' ' 103' ' ' ILE . 95.5 t -121.73 126.35 74.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.0 p -139.66 148.95 43.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.44 149.37 52.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.111 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.2 m -149.29 148.71 29.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.55 -173.76 24.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -35.73 12.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.721 2.28 . . . . 0.0 112.294 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.44 -29.74 39.63 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.524 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 mt -117.13 27.41 9.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.7 t -62.41 120.66 11.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.5 p -65.8 -36.83 84.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -60.21 -32.01 70.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 134.69 153.77 6.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.486 HG21 ' OH ' ' A' ' 84' ' ' TYR . 27.8 m -116.14 152.38 47.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.628 0.727 . . . . 0.0 111.141 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 127.81 15.09 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.235 . . . . 0.0 112.354 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.412 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -73.28 142.4 47.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.9 m 62.69 27.99 16.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.412 HD23 ' O ' ' A' ' 38' ' ' ALA . 3.9 mm? -124.69 132.07 24.24 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.574 0.702 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 98.49 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.652 2.234 . . . . 0.0 112.371 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.569 HG13 ' CE2' ' A' ' 84' ' ' TYR . 14.8 p -109.47 146.28 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -143.43 143.41 31.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.829 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.506 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 17.4 p90 -112.7 -177.32 3.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.37 127.44 29.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.099 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.5 mt -97.56 103.12 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.083 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -92.46 108.3 19.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.762 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -109.08 125.15 51.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -95.79 -55.8 2.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -121.76 31.36 6.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.762 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -82.45 12.37 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 47.17 -150.94 2.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -121.25 120.48 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.381 . . . . 0.0 110.931 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -149.06 176.74 27.69 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 tt -86.17 105.34 16.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.824 0.345 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.7 tp -76.08 130.47 38.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.477 ' HB3' ' OG1' ' A' ' 97' ' ' THR . . . -122.86 125.56 45.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.2 t -98.54 115.72 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -116.5 110.67 18.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 25.5 mt -121.55 122.17 66.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.184 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.5 p -128.49 156.01 43.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -114.68 -178.69 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -50.86 -22.8 2.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.426 ' HG2' ' CE ' ' A' ' 66' ' ' LYS . 3.3 tp10 -84.97 -25.86 27.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.65 12.84 63.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.426 ' CE ' ' HG2' ' A' ' 64' ' ' GLU . 13.1 ptpt -96.1 153.03 39.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 126.62 13.55 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.711 2.274 . . . . 0.0 112.326 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -97.88 153.82 18.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -66.35 120.6 13.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -130.95 152.41 50.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.6 mt -116.3 142.42 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 p -111.82 131.77 62.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.483 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 51.6 m-70 -120.64 126.15 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -102.78 120.09 39.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -96.89 -21.94 17.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.72 26.08 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -122.53 23.02 9.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 88.45 24.76 32.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.5 p -150.29 171.54 16.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 111.155 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -146.74 135.74 22.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.95 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.483 ' HB3' ' HB2' ' A' ' 73' ' ' HIS . . . -117.2 144.93 44.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.506 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 97.3 t -142.54 120.11 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.6 m -98.0 138.04 35.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.109 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.569 ' CE2' HG13 ' A' ' 42' ' ' VAL . 2.5 p90 -144.04 131.06 20.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 31.4 mt -109.98 103.18 52.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.64 0.733 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.519 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 53.3 Cg_endo -69.77 88.58 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.241 . . . . 0.0 112.342 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -65.71 -40.07 91.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -89.78 168.04 12.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 66.2 p -120.28 137.9 53.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.11 -125.34 2.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -110.98 141.72 44.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.359 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -126.56 125.18 41.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.531 ' HE2' ' HB2' ' A' ' 107' ' ' PRO . 2.3 tpt -104.99 122.21 45.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 77.2 mt -117.14 122.38 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -111.86 95.04 0.78 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.0 t -80.59 108.82 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.921 0.391 . . . . 0.0 111.131 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.477 ' OG1' ' HB3' ' A' ' 57' ' ' ALA . 40.9 p -107.61 142.62 37.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -132.36 118.89 19.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.11 47.6 79.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 60.73 35.87 90.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -152.52 117.34 5.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.489 ' N ' ' OD1' ' A' ' 102' ' ' ASP . 0.2 OUTLIER -77.45 137.79 38.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.712 HG22 ' O ' ' A' ' 21' ' ' ALA . 14.7 pt -70.69 154.52 94.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.565 0.698 . . . . 0.0 111.167 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 2.73 3.26 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.68 2.254 . . . . 0.0 112.396 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.427 ' HB2' HD12 ' A' ' 103' ' ' ILE . 4.2 mm? -102.32 -25.2 13.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.497 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.5 m -90.33 160.92 38.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.635 0.731 . . . . 0.0 110.85 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.531 ' HB2' ' HE2' ' A' ' 93' ' ' MET . 53.5 Cg_endo -69.7 -179.28 18.62 Favored 'Cis proline' 0 C--O 1.231 0.149 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.331 -0.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -117.41 132.58 56.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -96.25 126.31 41.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 40.8 mt -140.39 149.84 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -131.01 126.98 37.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -81.37 112.89 19.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 73.9 p -82.42 101.08 10.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -82.74 127.39 33.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 23.9 m -87.45 -51.52 5.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 162.85 -129.3 2.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -55.22 152.2 8.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -110.06 101.48 10.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 98.7 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.829 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 p -123.8 177.81 5.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.911 0.386 . . . . 0.0 110.821 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -104.99 -61.78 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.86 -158.4 29.38 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -133.89 177.0 8.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -137.16 161.42 36.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.07 -178.34 34.62 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -138.48 174.84 10.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.827 0.346 . . . . 0.0 110.872 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.5 m -126.56 76.14 74.17 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.637 0.732 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 160.3 50.24 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.682 2.255 . . . . 0.0 112.375 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' A' ' 11' ' ' PHE . 2.4 p90 -162.9 146.64 11.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.11 93.83 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.6 m -115.45 121.88 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -98.67 73.88 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.7 m -126.43 176.77 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.48 HD23 ' H ' ' A' ' 16' ' ' LEU . 0.9 OUTLIER -107.42 143.65 27.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.614 0.721 . . . . 0.0 110.893 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.503 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 53.8 Cg_endo -69.78 163.27 38.93 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.667 2.245 . . . . 0.0 112.345 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.1 m -94.68 -20.4 19.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.503 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 6.8 p90 -69.11 147.59 51.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -147.18 114.36 6.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.836 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.16 -45.15 75.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.4 m -49.19 -32.83 11.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.568 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 67.6 mmtt -85.91 32.0 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.8 t -124.6 119.03 55.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.9 p -135.45 157.12 47.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.1 150.47 49.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.03 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.5 m -148.59 137.39 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.36 -173.78 31.4 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.444 ' HB2' HG21 ' A' ' 42' ' ' VAL . 53.4 Cg_endo -69.75 -33.68 16.15 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.658 2.239 . . . . 0.0 112.352 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.1 -32.18 56.62 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.0 mt -115.38 28.41 8.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 t -65.1 120.59 12.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.402 ' HB2' ' NH2' ' A' ' 109' ' ' ARG . 20.5 p -66.18 -36.99 84.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -59.41 -33.22 70.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.949 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.66 157.99 8.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.459 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.413 HG21 ' OH ' ' A' ' 84' ' ' TYR . 31.0 m -119.75 148.95 47.39 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.63 0.729 . . . . 0.0 111.104 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 122.3 8.99 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.715 2.277 . . . . 0.0 112.38 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.0 162.64 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.4 t 42.27 43.16 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.405 HD13 ' N ' ' A' ' 41' ' ' PRO . 0.6 OUTLIER -140.22 117.48 8.15 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.618 0.723 . . . . 0.0 110.914 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.405 ' N ' HD13 ' A' ' 40' ' ' LEU . 54.1 Cg_endo -69.74 98.1 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.712 2.275 . . . . 0.0 112.323 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.444 HG21 ' HB2' ' A' ' 29' ' ' PRO . 4.1 p -108.47 141.86 22.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -128.7 145.64 51.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.543 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 22.3 p90 -111.57 -174.89 2.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.39 125.35 24.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 34.4 mt -94.92 101.46 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.088 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.25 115.56 26.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.768 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -114.0 125.6 54.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 46.3 mtm180 -95.3 -56.61 2.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.15 29.89 6.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.768 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -81.24 14.77 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.08 -150.39 0.31 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.532 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -116.33 124.67 50.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.77 169.66 34.06 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 tt -80.81 106.27 12.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.972 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.425 HD12 ' HD1' ' A' ' 98' ' ' TYR . 6.1 tp -76.39 141.96 41.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.9 141.37 40.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.824 HG21 HG21 ' A' ' 82' ' ' VAL . 89.7 t -126.52 117.54 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -117.57 112.24 20.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.534 HD12 ' HB2' ' A' ' 70' ' ' ALA . 42.4 mt -110.32 140.97 27.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.3 p -141.91 173.17 11.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.169 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.82 -175.66 2.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -52.86 -38.7 61.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -80.38 -23.16 40.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.77 35.7 5.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.467 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -95.48 154.92 39.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.614 0.721 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 132.19 22.78 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -116.9 147.95 41.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -67.69 120.37 13.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.534 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -128.65 124.78 36.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.079 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.4 mt -87.3 145.03 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.9 p -109.69 125.8 66.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.461 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 12.4 t60 -111.88 132.05 54.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -113.14 121.07 43.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -107.19 -32.67 7.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? 61.38 34.85 18.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -128.71 25.91 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 86.02 9.25 77.54 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.0 p -135.83 174.46 10.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.813 0.339 . . . . 0.0 111.113 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -151.71 138.39 18.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.461 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -120.39 137.69 54.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.076 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.824 HG21 HG21 ' A' ' 58' ' ' VAL . 80.9 t -133.63 120.87 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 57.1 m -94.59 144.51 25.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.558 ' CE1' ' HD3' ' A' ' 86' ' ' PRO . 2.5 p90 -152.27 134.57 15.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.431 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 42.2 mt -111.1 102.72 53.56 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.649 0.738 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.558 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 53.9 Cg_endo -69.71 104.54 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -92.3 -52.08 4.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.01 93.62 6.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.481 HG21 ' HB2' ' A' ' 114' ' ' GLN . 26.8 p -48.18 160.93 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.91 -129.6 6.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.89 144.97 31.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.838 0.351 . . . . 0.0 110.82 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.52 ' CE2' ' HB3' ' A' ' 86' ' ' PRO . 22.8 m-85 -128.7 112.57 14.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.75 122.88 42.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.437 ' CD1' HD12 ' A' ' 110' ' ' ILE . 46.2 mt -114.4 122.9 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -110.28 89.38 0.55 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.8 t -80.11 120.15 30.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.888 0.375 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.5 p -117.46 140.96 48.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.425 ' HD1' HD12 ' A' ' 56' ' ' LEU . 5.7 t80 -126.44 127.73 45.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 49.12 45.16 33.85 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.443 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.35 33.41 87.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -148.02 117.25 6.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -66.44 132.72 48.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.6 pt -68.64 150.43 97.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.664 0.745 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 2.77 3.22 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.716 2.278 . . . . 0.0 112.375 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -101.22 -20.8 15.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.507 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.5 m -91.77 160.96 35.11 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.72 0.772 . . . . 0.0 110.836 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.9 Cg_endo -69.74 -179.12 18.25 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.333 -0.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -121.79 122.01 38.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.402 ' NH2' ' HB2' ' A' ' 33' ' ' SER . 0.1 OUTLIER -83.89 134.24 34.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.437 HD12 ' CD1' ' A' ' 94' ' ' ILE . 17.4 mt -152.43 147.02 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -132.18 128.77 38.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -82.11 119.94 24.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 67.6 p -82.67 96.51 8.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.481 ' HB2' HG21 ' A' ' 89' ' ' THR . 0.5 OUTLIER -69.08 112.38 5.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 95.3 m -156.98 121.3 4.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.137 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 106.0 173.05 23.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.467 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.9 t70 47.31 42.27 13.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -103.07 110.44 22.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 92.3 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.809 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -159.74 174.77 14.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.91 0.386 . . . . 0.0 110.834 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 m -144.13 178.02 8.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.18 -167.4 11.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.544 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.4 p -161.11 168.93 23.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.868 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 m -148.78 163.97 35.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.82 153.34 19.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -130.84 150.48 51.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.834 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.7 p -133.94 87.06 36.09 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.665 0.745 . . . . 0.0 110.851 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 168.45 21.58 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.718 2.279 . . . . 0.0 112.36 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -60.63 177.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -131.51 41.76 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.6 t -133.37 137.7 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -134.73 122.47 22.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.8 m -127.84 152.79 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.781 ' H ' HD12 ' A' ' 16' ' ' LEU . 4.1 mp -47.22 144.8 4.02 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.642 0.734 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 165.07 32.13 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.257 . . . . 0.0 112.353 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.2 m -98.4 -19.38 17.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -69.07 147.13 51.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -147.43 112.32 5.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.458 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -56.39 -49.12 75.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.477 ' HA ' ' CD ' ' A' ' 104' ' ' PRO . 2.8 m -48.07 -29.77 3.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.428 ' CD ' ' HB3' ' A' ' 50' ' ' ASP . 52.2 mmtt -84.31 26.1 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.5 t -120.54 129.25 75.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.9 p -135.99 156.0 49.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.454 ' HB1' HD11 ' A' ' 31' ' ' LEU . . . -138.28 141.4 39.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.094 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 m -143.11 150.95 40.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.75 -174.1 24.33 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -35.43 12.86 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.256 . . . . 0.0 112.354 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.91 -23.24 63.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.454 HD11 ' HB1' ' A' ' 26' ' ' ALA . 11.3 mt -117.27 23.21 11.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.8 t -65.64 119.66 11.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.7 p -63.63 -32.36 73.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -62.12 -27.53 69.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.43 158.36 9.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.604 HG11 ' OH ' ' A' ' 84' ' ' TYR . 29.6 m -119.86 147.9 45.26 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.606 0.717 . . . . 0.0 111.109 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 119.59 6.51 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.321 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 39' ' ' SER . . . -58.32 165.06 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 38' ' ' ALA . 53.8 m 37.28 38.98 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.579 HD13 ' N ' ' A' ' 41' ' ' PRO . 0.8 OUTLIER -132.66 119.39 16.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 110.911 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.579 ' N ' HD13 ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.77 96.35 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.723 2.282 . . . . 0.0 112.292 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.581 HG13 ' CE1' ' A' ' 84' ' ' TYR . 2.5 p -109.84 152.82 11.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -141.96 144.31 33.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.44 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 4.9 p90 -111.86 -178.33 3.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.61 131.92 52.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.439 ' CD1' HD21 ' A' ' 56' ' ' LEU . 14.4 mt -108.73 111.71 37.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -108.77 120.54 42.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.8 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -106.95 125.72 51.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -95.05 -56.3 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' HB3' ' CD ' ' A' ' 23' ' ' LYS . 7.5 t0 -122.01 25.81 8.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.8 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -82.13 16.5 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.105 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.38 -150.54 0.13 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -104.44 118.71 37.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.473 ' HA3' ' CE2' ' A' ' 98' ' ' TYR . . . -154.98 164.91 32.01 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 tt -90.28 122.75 33.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.439 HD21 ' CD1' ' A' ' 46' ' ' ILE . 7.9 tp -81.97 134.21 35.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -128.3 125.21 38.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.61 HG21 HG21 ' A' ' 82' ' ' VAL . 97.9 t -108.61 130.07 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -128.5 110.89 12.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.603 HD12 ' HB2' ' A' ' 70' ' ' ALA . 29.6 mt -110.3 135.61 48.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.5 p -137.0 163.92 29.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.86 -176.61 3.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -53.26 -38.76 63.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -80.49 -25.58 38.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.35 37.98 4.4 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -97.91 153.37 38.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.568 0.699 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 135.31 30.15 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -118.87 136.15 54.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -60.13 115.52 3.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.603 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -118.78 136.45 53.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 58.1 mt -96.88 136.76 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.1 t -110.13 106.77 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.164 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.855 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 7.0 t60 -86.67 129.9 34.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -109.45 115.69 30.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -103.28 -25.01 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 57.67 31.59 20.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -124.7 28.8 6.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 90.43 -29.8 6.44 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 50.5 p -98.37 176.5 5.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.752 0.31 . . . . 0.0 111.177 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -151.73 134.82 15.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.855 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -109.93 143.29 40.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.08 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.61 HG21 HG21 ' A' ' 58' ' ' VAL . 47.5 t -138.81 119.31 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.1 m -101.05 146.7 27.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.604 ' OH ' HG11 ' A' ' 36' ' ' VAL . 22.5 p90 -151.42 128.55 11.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.425 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 43.8 mt -103.33 96.54 8.56 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.669 0.747 . . . . 0.0 111.181 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 85' ' ' ILE . 53.6 Cg_endo -69.72 95.05 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.701 2.267 . . . . 0.0 112.369 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.17 -64.67 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -69.26 176.29 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 73.4 p -127.55 147.88 50.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 143.83 -136.5 6.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -100.48 127.82 46.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.407 ' HE2' ' HB2' ' A' ' 112' ' ' ALA . 32.0 m-85 -110.04 134.47 52.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 7.6 ttm -118.73 113.5 21.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.637 HD12 HD12 ' A' ' 110' ' ' ILE . 52.3 mt -112.34 120.06 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -107.21 92.31 0.76 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.5 t -82.23 134.17 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.936 0.398 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.686 HG22 ' HA ' ' A' ' 102' ' ' ASP . 25.6 p -135.98 147.89 48.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.473 ' CE2' ' HA3' ' A' ' 54' ' ' GLY . 23.5 t80 -132.81 122.81 25.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.67 39.47 97.95 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.447 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 66.54 30.05 75.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.499 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -144.39 120.34 10.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.686 ' HA ' HG22 ' A' ' 97' ' ' THR . 0.3 OUTLIER -73.58 145.27 45.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.755 HD11 ' HE2' ' A' ' 108' ' ' TYR . 7.0 pt -73.39 155.93 89.33 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.65 0.738 . . . . 0.0 111.119 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.477 ' CD ' ' HA ' ' A' ' 22' ' ' SER . 53.6 Cg_endo -69.76 3.03 3.0 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.702 2.268 . . . . 0.0 112.385 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.501 ' HB2' HD12 ' A' ' 103' ' ' ILE . 3.6 mm? -105.04 -29.26 10.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.545 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 72.5 p -68.33 152.45 96.55 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.677 0.751 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.4 Cg_endo -69.8 -176.67 13.08 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.293 0.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.755 ' HE2' HD11 ' A' ' 103' ' ' ILE . 28.8 m-85 -118.17 115.24 24.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -85.28 118.84 25.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.637 HD12 HD12 ' A' ' 94' ' ' ILE . 6.9 mt -144.15 152.17 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.082 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -124.95 154.27 41.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.407 ' HB2' ' HE2' ' A' ' 92' ' ' TYR . . . -108.51 100.1 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.072 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 63.3 p -71.9 104.75 3.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -69.27 116.31 9.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.2 t -153.07 156.7 39.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.125 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 85.21 107.21 0.67 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.447 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -109.71 121.46 45.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.333 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -43.37 157.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.759 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -145.54 126.27 14.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.858 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -108.95 -61.22 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.31 -174.11 15.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 p -169.54 177.93 4.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.831 0.348 . . . . 0.0 110.854 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -141.76 177.29 8.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.04 169.23 34.14 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.451 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.0 ptt-85 -174.33 153.74 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.7 m -163.56 111.87 0.98 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.653 0.74 . . . . 0.0 110.851 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 178.93 4.12 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -139.6 166.11 25.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -174.3 175.2 2.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.3 t -39.21 125.13 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -129.05 139.24 52.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.0 m -126.58 162.36 31.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 pp -62.07 138.18 95.79 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.584 0.707 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.582 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 53.5 Cg_endo -69.82 153.89 68.14 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.667 2.244 . . . . 0.0 112.355 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.1 m -75.09 -32.75 61.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.582 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 11.0 p90 -65.85 159.38 25.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -150.03 110.94 4.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.625 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -59.49 -46.61 88.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.07 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.3 m -51.31 -31.29 21.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 59.0 mmtt -85.39 28.35 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -115.6 126.64 73.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.8 p -131.42 159.0 39.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.91 147.94 42.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.094 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.8 m -147.27 149.65 33.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.77 -174.7 23.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -37.47 9.21 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.88 -34.74 38.25 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.527 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 mt -111.14 24.52 12.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.4 t -61.22 120.7 10.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.6 t -64.35 -38.16 90.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -59.14 -33.75 71.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.943 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.34 158.51 8.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.455 HG21 ' OH ' ' A' ' 84' ' ' TYR . 35.2 m -117.7 149.08 44.43 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.58 0.705 . . . . 0.0 111.131 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 119.65 6.56 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.84 162.34 2.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.086 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 t 42.08 43.23 2.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.638 HD13 ' HD2' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -141.76 123.26 8.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.567 0.699 . . . . 0.0 110.946 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.638 ' HD2' HD13 ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.75 102.69 1.05 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.738 2.292 . . . . 0.0 112.337 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.581 HG13 ' CE2' ' A' ' 84' ' ' TYR . 9.7 p -114.08 142.96 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -135.2 148.33 49.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 13.0 p90 -112.19 -177.6 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.6 123.63 29.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.6 mt -95.61 101.96 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.6 118.56 33.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.798 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -111.28 125.66 54.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.075 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -95.17 -55.95 2.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -122.1 32.17 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.798 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -93.66 -21.07 19.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.19 -144.12 44.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.435 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -117.64 143.69 45.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.929 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -173.61 154.36 19.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.2 tp -52.66 109.53 0.41 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.858 0.361 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.8 tp -90.85 136.05 33.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.02 146.77 50.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.0 t -123.07 119.62 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.18 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -117.97 109.02 15.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.676 HD12 ' HB2' ' A' ' 70' ' ' ALA . 58.1 mt -115.66 133.84 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.0 p -137.48 170.2 16.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -103.54 173.77 6.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.845 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -44.4 -44.31 8.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -81.67 -24.53 36.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.11 42.54 1.51 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.1 mtmm -97.83 150.21 36.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.559 0.695 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 138.91 39.0 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.386 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -123.74 157.64 33.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -79.73 120.71 24.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.676 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -124.05 138.6 54.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.5 mt -106.35 148.77 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 p -117.76 125.77 74.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -117.49 130.63 56.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.814 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -102.4 121.58 42.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -101.83 -31.63 10.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt 57.77 29.86 18.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -124.57 28.9 6.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.44 24.1 57.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.6 p -150.86 177.92 9.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 111.151 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -151.74 131.26 13.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.15 147.53 32.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.551 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 48.1 t -141.95 117.24 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 17.4 m -98.48 144.29 27.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.581 ' CE2' HG13 ' A' ' 42' ' ' VAL . 5.5 p90 -150.56 136.84 18.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.9 mt -113.69 100.45 52.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.668 0.747 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.563 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 54.0 Cg_endo -69.73 105.75 1.53 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.358 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.07 -55.91 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.889 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -75.7 170.45 16.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 70.2 p -117.62 140.67 49.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.33 -129.18 3.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -112.38 148.53 34.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -129.12 139.95 51.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 50.8 ttm -115.45 117.4 30.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 48.1 mt -110.78 117.94 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -107.59 91.87 0.72 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.542 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 80.8 t -78.92 145.7 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.895 0.378 . . . . 0.0 111.14 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.2 p -144.32 146.06 32.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -132.58 114.2 13.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.14 45.49 80.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.535 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 62.78 35.42 91.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.536 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -143.82 147.52 34.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.81 133.07 43.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.625 HG22 ' O ' ' A' ' 21' ' ' ALA . 14.4 pt -71.8 150.52 93.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.595 0.712 . . . . 0.0 111.131 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 3.38 2.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.369 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.453 ' HB2' HD12 ' A' ' 103' ' ' ILE . 15.2 mt -99.16 -31.14 11.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.507 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.5 m -81.6 160.88 63.35 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.642 0.734 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.6 Cg_endo -69.72 -179.08 18.11 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.343 -0.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -119.57 130.21 55.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.0 mtp-105 -98.45 120.35 38.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 111' ' ' ARG . 39.2 mt -134.35 155.17 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.426 ' N ' HG22 ' A' ' 110' ' ' ILE . 16.2 mtp-105 -129.75 117.97 21.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -80.56 98.48 7.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 61.9 p -65.74 111.85 3.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -69.98 169.93 12.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 14.9 t -170.62 149.62 3.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -103.93 104.61 2.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.53 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -123.96 103.48 8.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -166.14 130.69 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.8 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.823 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 m -142.28 176.59 8.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -143.68 168.17 20.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.14 -148.81 0.11 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.1 p -154.76 114.96 3.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.867 0.365 . . . . 0.0 110.825 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -97.79 168.81 10.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.18 110.97 0.87 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -127.84 161.88 27.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.827 0.346 . . . . 0.0 110.907 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.437 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 1.8 m 64.01 54.86 1.6 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.646 0.736 . . . . 0.0 110.861 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 9' ' ' SER . 54.2 Cg_endo -69.68 164.79 33.13 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.708 2.272 . . . . 0.0 112.359 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.541 ' CG ' ' O ' ' A' ' 11' ' ' PHE . 20.9 p90 -69.75 105.81 2.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -148.75 179.83 7.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.0 t -58.54 134.65 23.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.13 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -102.92 114.84 29.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 m -128.79 139.08 52.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.623 HD23 ' H ' ' A' ' 16' ' ' LEU . 2.0 pt? -51.44 139.39 27.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.611 0.72 . . . . 0.0 110.919 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.408 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 53.8 Cg_endo -69.78 158.48 56.8 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.66 2.24 . . . . 0.0 112.336 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.2 m -84.4 -27.82 27.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.408 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 3.0 p90 -69.44 156.93 38.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -151.22 122.92 8.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.24 -49.62 59.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -48.03 -30.59 4.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.442 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 73.8 mmtt -85.55 29.56 0.68 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 69.0 t -116.01 129.82 71.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.4 p -140.21 140.75 35.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.24 151.23 50.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -148.57 162.36 39.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 134.56 -173.03 21.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -35.62 12.16 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.245 . . . . 0.0 112.335 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.46 -30.31 49.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.435 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 mt -116.34 29.18 8.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.855 0.359 . . . . 0.0 110.935 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 t -65.81 116.54 7.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.1 p -61.03 -38.57 86.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -59.92 -34.0 72.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.87 158.53 7.57 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.459 HG11 ' OH ' ' A' ' 84' ' ' TYR . 33.1 m -116.72 150.86 46.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.716 . . . . 0.0 111.147 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 114.83 3.83 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.664 2.242 . . . . 0.0 112.344 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.544 ' HB3' ' HG3' ' A' ' 114' ' ' GLN . . . -57.79 164.94 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 38' ' ' ALA . 7.0 t 35.28 39.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.703 HD13 ' HD2' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -137.47 124.97 14.04 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.601 0.715 . . . . 0.0 110.938 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.703 ' HD2' HD13 ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.75 96.55 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.7 2.266 . . . . 0.0 112.323 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.455 HG13 ' CE2' ' A' ' 84' ' ' TYR . 7.2 p -107.91 140.93 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.143 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -131.45 152.07 51.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.451 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 12.7 p90 -117.83 -178.92 3.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.0 127.29 39.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.3 mt -97.44 103.63 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -95.97 118.94 33.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.801 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -112.6 125.59 54.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -95.28 -55.46 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -122.18 32.19 5.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.801 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -95.33 -20.35 19.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.2 -142.25 42.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -119.61 137.5 53.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.907 0.384 . . . . 0.0 110.902 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.73 162.01 34.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.7 tt -61.67 107.11 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 97' ' ' THR . 50.1 tp -87.63 134.82 33.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.694 ' HB3' ' OG1' ' A' ' 97' ' ' THR . . . -131.2 128.34 39.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.1 t -97.09 131.69 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -134.15 117.13 16.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.706 HD12 ' HB2' ' A' ' 70' ' ' ALA . 47.2 mt -128.87 132.07 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.8 p -135.84 162.39 32.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -94.27 179.83 5.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -52.7 -39.84 62.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -82.84 -24.87 33.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.65 42.39 1.72 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -96.58 152.67 38.73 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.703 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 134.66 28.57 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.66 2.24 . . . . 0.0 112.336 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -126.82 131.67 51.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.2 ttm-85 -73.58 131.91 42.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.706 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -135.95 140.83 44.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.7 mt -84.4 149.51 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.516 ' O ' HG13 ' A' ' 72' ' ' VAL . 7.4 p -122.89 114.78 43.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.679 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 58.2 m-70 -102.46 126.02 49.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -102.3 109.49 21.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -90.77 -28.07 18.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? 58.32 30.12 19.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -124.05 28.63 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 93.32 -30.74 6.92 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.2 p -102.93 176.11 5.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 111.097 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -147.42 140.14 24.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.679 ' HB3' ' HB2' ' A' ' 73' ' ' HIS . . . -111.28 141.02 45.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.066 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.451 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 86.6 t -142.23 120.52 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 92.4 m -100.14 144.54 29.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.459 ' OH ' HG11 ' A' ' 36' ' ' VAL . 3.0 p90 -152.1 129.4 11.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.405 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 60.9 mt -103.6 106.06 50.37 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.662 0.744 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 85' ' ' ILE . 54.0 Cg_endo -69.73 93.11 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.26 . . . . 0.0 112.357 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -78.78 -46.49 18.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -88.24 85.59 6.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 61.9 p -49.41 140.23 10.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 143.54 -128.44 3.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.446 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -99.41 141.37 32.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -133.37 134.96 44.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.48 ' CG ' ' HB2' ' A' ' 107' ' ' PRO . 34.4 ttm -120.9 111.64 17.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 27.4 mt -103.38 132.71 49.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.066 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -117.29 94.84 0.64 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.458 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.7 t -83.04 141.4 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.694 ' OG1' ' HB3' ' A' ' 57' ' ' ALA . 24.9 p -138.92 147.24 42.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -136.81 112.95 9.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.99 44.89 59.57 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 61.84 32.98 83.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.452 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -151.41 117.25 5.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.527 ' CA ' HG22 ' A' ' 97' ' ' THR . 0.3 OUTLIER -71.65 143.29 49.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.461 HD12 HD12 ' A' ' 105' ' ' LEU . 21.4 pt -74.79 154.04 87.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.58 0.705 . . . . 0.0 111.183 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 6.36 1.35 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.461 HD12 HD12 ' A' ' 103' ' ' ILE . 21.0 mt -101.44 -26.34 13.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.523 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 2.1 p -83.91 155.27 64.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.653 0.74 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.76 -176.58 12.88 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.373 -0.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -117.71 133.41 55.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -95.6 117.29 30.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 38.9 mt -138.97 149.76 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -126.34 118.75 25.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -81.11 108.46 14.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.5 t -103.35 141.13 36.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.544 ' HG3' ' HB3' ' A' ' 38' ' ' ALA . 22.9 tt0 -134.73 104.07 5.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 44.8 p -74.42 -45.17 48.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -112.97 -152.31 11.19 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -143.1 169.57 17.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 0.0 110.826 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -109.91 137.92 47.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.068 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 87.1 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.848 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -166.17 165.02 17.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.887 0.375 . . . . 0.0 110.839 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -168.94 170.47 9.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.12 172.26 35.8 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -157.66 165.63 34.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.0 p -148.69 169.51 20.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.84 -171.47 27.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 -147.61 159.2 44.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 m -123.27 121.81 26.92 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.703 0.763 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 176.99 5.99 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -53.56 175.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -72.46 96.4 1.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.537 HG22 HG13 ' A' ' 15' ' ' VAL . 13.4 p -173.53 126.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 3.6 mppt? -103.68 89.01 3.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.537 HG13 HG22 ' A' ' 13' ' ' VAL . 31.3 m -128.63 161.21 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.12 142.76 90.5 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.568 0.699 . . . . 0.0 110.946 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.588 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 53.9 Cg_endo -69.75 149.63 67.2 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.705 2.27 . . . . 0.0 112.342 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 87.1 m -65.57 -36.73 84.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.588 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 27.3 p90 -68.42 170.06 9.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -154.86 121.8 5.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.01 -49.77 41.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.8 m -48.31 -27.34 2.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.492 ' CE ' ' HB3' ' A' ' 50' ' ' ASP . 21.2 mmmt -88.8 26.97 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 79.0 t -119.74 124.87 73.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.8 p -141.01 163.33 33.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.5 154.03 45.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -147.0 150.39 35.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.69 -173.76 23.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.45 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -36.79 10.05 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.251 . . . . 0.0 112.325 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.87 -33.73 43.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 mt -112.68 27.14 9.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.787 0.327 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.2 t -64.95 123.17 18.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 t -72.76 -35.4 67.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -61.38 -31.79 71.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.24 157.01 7.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.0 m -120.39 151.09 53.15 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 116.3 4.5 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.378 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.12 153.23 26.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.5 t 45.36 41.95 6.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.837 HD22 ' HD2' ' A' ' 41' ' ' PRO . 1.7 tm? -139.68 126.79 12.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.632 0.73 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.837 ' HD2' HD22 ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.8 100.12 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.519 HG13 ' CE2' ' A' ' 84' ' ' TYR . 9.4 p -108.91 145.31 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.27 142.63 41.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.508 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 10.4 p90 -107.98 -178.8 3.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.35 131.93 50.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.3 mt -106.37 106.38 20.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -102.06 121.11 41.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.856 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -110.62 127.75 55.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -94.62 -56.46 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.492 ' HB3' ' CE ' ' A' ' 23' ' ' LYS . 6.6 t0 -122.11 18.86 10.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.856 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -74.08 -28.49 61.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.072 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.33 -146.53 48.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -101.03 120.02 39.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.379 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.504 ' HA3' ' CE2' ' A' ' 98' ' ' TYR . . . -147.67 146.38 16.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 tp -58.41 106.59 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.1 tp -87.59 135.83 33.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.77 143.12 46.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.5 t -112.68 115.21 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.143 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -118.94 107.17 13.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.755 HD12 ' HB2' ' A' ' 70' ' ' ALA . 38.4 mt -117.94 129.76 73.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.14 154.53 50.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -83.91 -178.11 6.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -55.05 -39.23 68.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -86.34 -23.42 26.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.84 45.02 1.06 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.9 mtpt -97.95 150.81 37.14 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.556 0.693 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 135.78 31.37 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.697 2.264 . . . . 0.0 112.377 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.425 ' NZ ' ' HA ' ' A' ' 68' ' ' LYS . 1.4 mmmp? -124.08 129.96 51.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -61.72 116.98 5.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.755 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -119.15 133.47 55.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 54.6 mt -93.24 146.68 6.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.7 t -113.53 118.25 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -106.66 124.69 49.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -103.54 120.57 41.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -103.65 -34.41 8.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm 59.29 30.74 20.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -125.21 29.39 6.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.17 22.76 58.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.5 p -151.12 178.29 9.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.78 0.324 . . . . 0.0 111.165 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -152.1 139.72 19.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -119.83 143.69 47.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.508 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 61.1 t -138.24 129.13 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 87.4 m -109.45 142.59 40.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.175 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.531 ' CE1' ' HD3' ' A' ' 86' ' ' PRO . 4.4 p90 -148.94 137.82 21.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.1 mt -114.39 102.82 55.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.711 . . . . 0.0 111.143 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.531 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 54.2 Cg_endo -69.76 89.86 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.311 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.83 -54.42 45.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.13 138.91 32.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.4 p -75.31 171.03 14.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 124.95 -140.18 12.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -114.34 145.91 41.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.847 0.356 . . . . 0.0 110.847 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.404 ' CE2' ' HB3' ' A' ' 86' ' ' PRO . 32.9 m-85 -125.73 139.72 53.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.949 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 44.0 ttm -115.82 106.92 14.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 48.7 mt -103.08 125.87 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -115.64 96.11 0.73 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.49 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.6 t -80.22 136.8 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 111.12 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.548 HG22 ' HA ' ' A' ' 102' ' ' ASP . 35.9 p -133.03 143.6 49.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.504 ' CE2' ' HA3' ' A' ' 54' ' ' GLY . 4.5 t80 -131.9 115.24 15.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.64 42.89 87.05 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.27 33.07 86.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.437 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -148.54 118.31 7.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.751 0.31 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.548 ' HA ' HG22 ' A' ' 97' ' ' THR . 1.0 OUTLIER -66.99 141.14 57.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.431 HD12 ' HB2' ' A' ' 105' ' ' LEU . 29.6 pt -77.8 152.97 80.58 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.607 0.718 . . . . 0.0 111.151 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 2.26 3.71 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.673 2.248 . . . . 0.0 112.297 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.431 ' HB2' HD12 ' A' ' 103' ' ' ILE . 4.4 mm? -96.74 -25.8 15.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.951 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.511 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 1.4 m -89.49 160.82 41.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.682 0.753 . . . . 0.0 110.816 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.76 179.91 20.97 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.356 -0.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -118.46 128.71 54.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -95.77 118.08 31.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.2 mt -134.42 148.86 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -127.4 128.77 46.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -86.78 105.02 16.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.6 t -89.98 137.92 31.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -123.29 156.83 34.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.952 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 53.0 p -127.47 143.82 51.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 97.29 156.98 30.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.535 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -104.8 174.58 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -134.8 148.7 50.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 36.7 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.74 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -174.94 177.95 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.92 0.391 . . . . 0.0 110.818 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.7 p -170.17 176.5 4.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.818 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.33 -170.62 28.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 p -160.87 176.1 11.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.856 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -156.38 156.89 34.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.72 -170.35 12.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.428 ' HD3' ' N ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -167.73 178.32 5.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.885 -179.862 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 t -157.4 132.74 5.63 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.65 0.738 . . . . 0.0 110.876 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -171.88 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -140.35 -179.5 6.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.75 38.0 3.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.7 t -151.0 141.16 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -137.85 113.0 9.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.1 m -127.8 171.43 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.714 ' H ' HD12 ' A' ' 16' ' ' LEU . 4.2 mp -51.23 143.44 17.41 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.629 0.728 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.497 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 54.0 Cg_endo -69.78 161.04 47.48 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.725 2.283 . . . . 0.0 112.33 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.0 m -89.47 -26.95 20.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.497 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 3.2 p90 -60.47 157.76 13.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -158.63 120.61 3.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.89 -47.56 65.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.1 p -49.45 -27.75 4.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 37.5 mmtm -88.2 30.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -123.05 118.27 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.1 p -134.6 148.42 50.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -133.72 149.49 51.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.09 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.2 m -147.76 153.3 39.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 140.74 -172.72 23.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -34.56 14.14 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.723 2.282 . . . . 0.0 112.316 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.504 ' O ' HD13 ' A' ' 110' ' ' ILE . . . -54.66 -28.74 46.99 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.432 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mt -115.58 26.0 10.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.1 t -68.01 112.65 5.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.1 p -59.72 -32.7 70.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -62.45 -28.16 69.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.62 159.31 9.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -120.0 151.81 53.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.624 0.726 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 117.58 5.17 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.25 . . . . 0.0 112.348 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 39' ' ' SER . . . -57.36 163.07 2.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' ALA . 9.9 m 35.55 42.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.605 HD22 ' HD2' ' A' ' 41' ' ' PRO . 0.9 OUTLIER -137.22 125.49 14.64 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.568 0.699 . . . . 0.0 110.942 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.605 ' HD2' HD22 ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.74 99.33 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.694 2.262 . . . . 0.0 112.347 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 p -112.36 145.39 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -139.73 143.26 36.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.576 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 19.1 p90 -106.35 179.79 4.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.73 132.69 51.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 62.3 mt -100.92 111.16 29.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.71 111.66 23.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.631 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -115.36 125.16 52.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -95.07 -55.53 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -122.2 33.4 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.631 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -77.96 10.85 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.077 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 44.98 -143.45 2.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.443 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -127.18 106.99 9.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 110.856 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -142.68 171.02 24.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.444 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.432 ' C ' HD23 ' A' ' 55' ' ' LEU . 7.8 tt -74.83 117.24 16.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 39.5 tp -97.94 142.29 29.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -158.48 142.74 15.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.5 p -111.47 141.66 26.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -123.07 102.33 7.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.6 HD12 ' HB2' ' A' ' 70' ' ' ALA . 65.1 mt -103.82 136.0 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 p -142.09 165.95 26.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -96.0 174.65 6.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -47.63 -40.94 20.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -82.99 -25.75 31.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.28 39.37 1.66 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.3 mttp -86.9 152.17 53.24 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.575 0.702 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 129.18 17.16 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.703 2.269 . . . . 0.0 112.324 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -114.79 147.91 39.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -83.84 110.78 18.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.6 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -111.62 126.82 55.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 30.9 mt -89.99 145.34 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 72' ' ' VAL . 11.1 p -113.93 125.71 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 54.9 t-80 -110.85 138.33 47.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -115.33 116.85 28.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -102.64 -29.56 11.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? 59.73 30.0 19.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -125.82 30.74 5.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.841 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 77.67 26.9 59.97 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.9 p -152.64 173.46 15.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 111.145 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -150.52 139.57 21.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.475 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -119.67 146.13 45.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.046 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.576 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 89.9 t -135.2 123.97 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 81.9 m -104.11 138.39 40.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.433 ' CE1' ' HD3' ' A' ' 86' ' ' PRO . 2.0 p90 -150.9 140.34 21.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 60.4 mt -114.91 106.95 51.02 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.623 0.725 . . . . 0.0 111.115 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.433 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 53.4 Cg_endo -69.74 107.44 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -83.06 -60.06 2.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -79.77 153.89 28.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 80.3 p -103.55 143.55 32.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.02 -128.5 2.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.404 ' HD3' ' N ' ' A' ' 91' ' ' ARG . 1.5 mpp_? -114.21 132.58 56.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.782 0.325 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.04 130.97 57.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.458 ' CE ' ' HB2' ' A' ' 107' ' ' PRO . 2.8 tpt -112.6 119.24 37.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 39.8 mt -118.24 147.19 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.146 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -136.53 102.69 0.41 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.5 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.1 t -82.79 112.31 20.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.89 0.376 . . . . 0.0 111.102 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 33.2 p -108.66 135.23 50.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -124.99 120.55 31.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.7 47.69 83.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 60.5 36.57 91.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.461 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -153.24 117.39 4.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.37 146.26 40.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.496 HD12 ' HB2' ' A' ' 105' ' ' LEU . 3.6 pt -75.11 157.1 85.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.606 0.717 . . . . 0.0 111.145 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -2.31 9.96 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.337 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.496 ' HB2' HD12 ' A' ' 103' ' ' ILE . 19.3 mt -95.55 -38.93 10.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.535 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 12.1 p -65.8 155.18 87.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.681 0.753 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.72 -177.25 14.07 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.372 -0.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.469 ' HE1' HD11 ' A' ' 103' ' ' ILE . 48.2 m-85 -118.36 124.8 48.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 18.3 ptt85 -87.55 122.83 31.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.816 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.504 HD13 ' O ' ' A' ' 30' ' ' GLY . 10.8 mt -144.58 146.63 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -141.96 125.74 17.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -80.67 123.63 28.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 75.9 p -92.11 85.86 5.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -83.12 115.22 21.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.1 t -123.79 128.04 48.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -101.93 105.18 2.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -128.7 42.03 3.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.796 0.332 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.55 102.26 3.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.8 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.82 -179.797 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 p -167.83 126.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.357 . . . . 0.0 110.886 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 m -71.72 -47.46 53.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.815 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.35 168.87 15.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.526 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -75.03 -52.02 12.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m 57.42 42.47 24.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.5 179.86 16.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.447 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -137.67 150.07 47.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.351 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.1 m -85.65 141.59 36.39 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.683 0.754 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 125.63 12.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.308 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -64.71 162.35 16.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -74.67 130.42 39.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.447 HG12 ' H ' ' A' ' 15' ' ' VAL . 97.9 t -143.78 138.24 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.41 40.4 3.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.447 ' H ' HG12 ' A' ' 13' ' ' VAL . 35.2 m -136.79 138.88 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -46.49 141.76 4.9 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.47 ' HB2' ' CD1' ' A' ' 19' ' ' TYR . 53.8 Cg_endo -69.81 159.74 52.27 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.7 2.266 . . . . 0.0 112.333 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.6 m -82.78 -27.07 31.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.47 ' CD1' ' HB2' ' A' ' 17' ' ' PRO . 5.5 p90 -73.92 160.11 31.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -151.37 107.44 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.839 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.436 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -49.2 -53.92 19.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.099 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.3 m -47.59 -29.03 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.75 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 61.2 mmtt -84.34 28.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.3 t -118.12 120.89 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.148 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.1 p -130.38 144.26 51.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -125.7 149.72 48.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.9 p -140.57 170.75 15.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 128.52 179.35 15.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -38.47 7.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.306 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.424 ' O ' HD13 ' A' ' 110' ' ' ILE . . . -53.28 -35.04 49.14 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 32' ' ' SER . 33.0 mt -85.56 -18.54 33.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 31' ' ' LEU . 41.8 t -34.09 117.64 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.7 p -74.33 -29.29 61.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -61.17 -31.18 70.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.75 152.45 5.95 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.5 m -117.76 151.92 49.24 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.602 0.715 . . . . 0.0 111.163 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 114.72 3.8 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.676 2.25 . . . . 0.0 112.348 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 39' ' ' SER . . . -59.57 173.31 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 38' ' ' ALA . 2.8 m 34.82 41.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.804 HD22 ' HD2' ' A' ' 41' ' ' PRO . 1.7 tm? -144.68 124.97 7.38 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.639 0.733 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.804 ' HD2' HD22 ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.78 99.31 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.32 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.437 HG13 ' CE2' ' A' ' 84' ' ' TYR . 12.2 p -103.6 139.52 24.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -132.39 135.41 46.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.453 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 21.8 p90 -103.41 179.25 4.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.27 126.23 36.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.5 mt -96.93 112.2 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.434 ' HA ' HG22 ' A' ' 79' ' ' THR . 0.7 OUTLIER -106.94 118.55 36.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.837 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.843 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -109.85 125.66 53.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -95.15 -56.37 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -120.65 26.75 8.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.843 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -84.77 -23.84 29.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.152 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.93 -142.45 38.04 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -116.96 129.68 56.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.93 161.64 32.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.5 tp -56.72 107.63 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.0 tp -97.27 128.2 43.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -130.24 157.5 42.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.959 HG11 HG11 ' A' ' 82' ' ' VAL . 98.9 t -132.31 98.78 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -102.36 108.15 19.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.665 HD12 ' HB2' ' A' ' 70' ' ' ALA . 70.2 mt -109.46 123.42 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.1 p -124.11 162.32 23.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -104.92 -176.0 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -36.83 51.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -79.3 -25.14 42.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.08 31.91 7.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -96.96 153.79 38.44 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.559 0.695 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 132.58 23.62 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.2 mmmm -114.82 150.9 34.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -76.98 122.13 24.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.838 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.665 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -129.06 149.83 50.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.3 mt -105.32 140.46 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 89.8 t -116.64 106.69 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -90.46 143.28 26.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -109.37 119.26 38.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -102.56 -28.93 11.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.99 33.43 21.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -126.04 28.42 6.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.36 5.82 89.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.434 HG22 ' HA ' ' A' ' 47' ' ' ASP . 23.8 p -129.82 176.29 8.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.729 0.299 . . . . 0.0 111.19 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -151.87 134.15 15.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.49 142.12 42.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.959 HG11 HG11 ' A' ' 58' ' ' VAL . 85.1 t -135.75 115.02 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.7 m -92.74 137.87 31.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.437 ' CE2' HG13 ' A' ' 42' ' ' VAL . 1.7 p90 -150.13 132.65 15.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.3 mt -105.03 112.45 65.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.718 . . . . 0.0 111.158 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 81.82 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.662 2.241 . . . . 0.0 112.373 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.07 -47.71 79.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -87.37 173.17 9.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.2 p -128.32 129.46 46.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.121 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 156.42 -121.52 1.09 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.437 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -112.22 127.49 55.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -111.97 125.82 54.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 33.6 tpp -111.53 131.08 55.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 76.8 mt -122.67 115.09 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.58 91.43 1.05 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 88.1 t -84.99 117.92 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 111.105 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.452 HG22 ' OD2' ' A' ' 102' ' ' ASP . 70.5 p -115.39 148.91 38.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -139.66 109.15 6.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.414 ' HA3' ' CE2' ' A' ' 19' ' ' TYR . . . 72.2 44.32 44.36 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 61.93 30.35 75.08 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.457 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -152.87 117.97 5.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.821 0.343 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.452 ' OD2' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.01 143.97 45.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.436 HG22 ' O ' ' A' ' 21' ' ' ALA . 5.3 pt -70.18 157.2 90.45 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.707 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 4.65 2.07 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.733 2.289 . . . . 0.0 112.321 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 73.3 mt -118.89 4.95 11.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.533 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 70.6 p -111.4 152.89 44.22 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.8 Cg_endo -69.75 -176.07 11.98 Favored 'Cis proline' 0 C--O 1.232 0.179 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.331 -0.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -114.58 130.82 56.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 27.1 ptt-85 -87.95 132.73 34.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.424 HD13 ' O ' ' A' ' 30' ' ' GLY . 6.8 mt -153.58 150.34 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -142.63 140.61 31.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -77.84 142.67 38.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.476 ' HB ' HG23 ' A' ' 115' ' ' THR . 75.6 p -71.33 -37.66 71.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.438 ' O ' ' CD ' ' A' ' 114' ' ' GLN . 0.1 OUTLIER 57.83 40.41 26.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.476 HG23 ' HB ' ' A' ' 113' ' ' THR . 72.0 p -87.7 157.86 18.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 137.45 144.88 4.83 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.446 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.35 134.79 44.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.34 111.16 17.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 89.0 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.799 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -132.31 128.18 37.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.871 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.5 p -78.34 176.25 9.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.75 -147.17 7.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 m -157.5 178.44 10.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 p -131.61 -179.87 5.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.83 -160.75 9.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.5 ptt85 -175.0 167.38 3.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.6 p -135.71 135.76 22.46 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.643 0.735 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.536 ' O ' ' CG ' ' A' ' 11' ' ' PHE . 53.5 Cg_endo -69.77 -169.27 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 2.244 . . . . 0.0 112.334 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.536 ' CG ' ' O ' ' A' ' 10' ' ' PRO . 67.7 m-85 -164.44 132.09 3.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -94.52 63.26 2.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.786 HG12 HG22 ' A' ' 15' ' ' VAL . 62.5 t -134.08 116.22 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -102.88 75.28 1.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.786 HG22 HG12 ' A' ' 13' ' ' VAL . 26.6 m -130.49 172.04 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.805 HD23 ' H ' ' A' ' 16' ' ' LEU . 1.3 pt? -75.59 141.74 73.15 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.629 0.728 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.488 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 53.2 Cg_endo -69.78 163.19 39.21 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.3 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.404 ' O ' HG22 ' A' ' 18' ' ' THR . 89.3 m -92.96 -15.28 26.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.488 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 17.6 p90 -82.07 158.97 23.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.961 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -151.03 132.57 14.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.761 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -79.55 -45.13 19.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.2 p -58.47 -21.0 50.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HE2' ' CB ' ' A' ' 50' ' ' ASP . 11.7 mmmt -85.95 7.52 24.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.0 t -105.82 124.36 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.4 p -119.1 159.44 23.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.769 ' HB1' HD11 ' A' ' 31' ' ' LEU . . . -137.74 131.86 31.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.8 m -148.05 147.24 29.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.39 -174.2 24.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -34.36 14.6 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.667 2.245 . . . . 0.0 112.311 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.29 -30.0 60.8 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.769 HD11 ' HB1' ' A' ' 26' ' ' ALA . 14.9 mt -109.37 20.23 18.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.327 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 t -60.5 119.6 8.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 t -68.85 -32.36 71.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -61.04 -32.29 71.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.12 158.36 7.56 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.471 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.9 m -125.35 143.99 46.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 111.148 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 119.14 6.14 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.647 2.231 . . . . 0.0 112.374 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.592 ' HB2' HG22 ' A' ' 89' ' ' THR . . . -62.55 164.49 7.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.4 m 44.76 29.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.728 HD22 ' HD2' ' A' ' 41' ' ' PRO . 1.5 tm? -127.35 124.28 23.59 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.634 0.73 . . . . 0.0 110.952 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.728 ' HD2' HD22 ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.73 98.31 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.39 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.571 HG13 ' CE1' ' A' ' 84' ' ' TYR . 7.1 p -112.83 143.18 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -133.53 148.18 51.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.532 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 1.7 p90 -108.96 172.68 6.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -117.24 135.22 53.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.151 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.2 mt -117.36 98.43 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.36 113.79 25.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.871 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -102.3 125.6 49.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -95.15 -54.16 3.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.832 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.454 ' CB ' ' HE2' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -122.08 19.3 10.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.871 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -71.37 0.28 8.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 54.98 -135.31 47.13 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.514 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -130.15 129.71 43.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.907 0.385 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.43 -168.17 26.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 mp -96.83 140.54 31.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.2 tp -114.93 140.49 48.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.07 147.52 30.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 58' ' ' VAL . 8.0 p -125.23 123.77 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.3 mp0 -111.84 108.8 18.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.539 HD12 ' HB2' ' A' ' 70' ' ' ALA . 22.3 mt -106.4 136.3 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.88 163.33 32.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -105.86 173.27 6.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -45.1 -29.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -91.36 -24.08 19.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.467 ' N ' ' OD1' ' A' ' 62' ' ' ASP . . . 96.26 48.35 2.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.505 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -95.23 151.19 38.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.646 0.736 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 130.04 18.71 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -122.88 144.55 49.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -90.81 140.04 30.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.539 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -136.79 133.82 36.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 44.3 mt -76.35 144.54 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.6 t -110.29 110.03 30.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.171 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.691 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 11.0 t60 -93.17 115.19 27.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.97 111.12 23.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 77' ' ' ASP . 3.4 m-80 -99.6 -12.46 20.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 75' ' ' ASN . 0.1 OUTLIER 31.2 38.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 75' ' ' ASN . 88.4 m-20 -126.02 2.21 7.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.76 8.19 11.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.446 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.2 p -144.69 176.86 9.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.798 0.332 . . . . 0.0 111.122 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -151.51 130.54 12.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.691 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -114.34 144.74 42.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.107 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.532 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 96.1 t -137.46 125.67 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.7 m -106.03 146.68 29.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.571 ' CE1' HG13 ' A' ' 42' ' ' VAL . 8.4 p90 -150.15 128.7 12.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.4 mt -106.24 96.33 13.2 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.571 0.701 . . . . 0.0 111.165 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.515 ' HD3' ' CD2' ' A' ' 84' ' ' TYR . 53.2 Cg_endo -69.75 118.7 5.84 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.254 . . . . 0.0 112.344 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -87.97 -63.5 1.29 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -81.45 106.9 13.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.592 HG22 ' HB2' ' A' ' 38' ' ' ALA . 58.5 p -61.09 135.04 57.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 154.44 -172.24 32.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -52.27 122.23 8.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -119.44 114.64 22.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.7 tpp -104.96 119.29 38.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 39.5 mt -109.8 130.28 63.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -115.37 99.0 0.87 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 71.5 t -85.45 127.91 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.388 . . . . 0.0 111.157 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.3 p -124.6 143.06 50.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -136.99 125.51 23.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.457 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . 56.14 33.32 60.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 74.74 26.33 67.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -141.82 127.23 18.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.349 . . . . 0.0 110.825 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.93 126.33 32.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.761 HG22 ' O ' ' A' ' 21' ' ' ALA . 12.1 pt -59.29 155.0 38.65 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.591 0.71 . . . . 0.0 111.172 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -1.54 8.68 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.499 ' HB2' HD12 ' A' ' 103' ' ' ILE . 93.6 mt -93.49 -26.47 17.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.52 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 2.7 p -85.16 154.24 60.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.698 0.761 . . . . 0.0 110.848 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 106' ' ' SER . 53.9 Cg_endo -69.79 -177.66 15.07 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.357 0.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.4 ' CD2' HD22 ' A' ' 31' ' ' LEU . 9.0 m-85 -122.07 129.47 52.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -92.48 129.07 38.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 1.8 mt -149.08 149.68 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 43.4 mtt-85 -124.47 116.6 22.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -78.16 111.67 14.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.5 t -111.63 147.56 35.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.9 tm0? -128.74 98.52 5.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 39.8 m -129.69 132.19 46.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 117' ' ' ASP . . . -157.24 47.64 0.47 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.46 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 116' ' ' GLY . 0.4 OUTLIER 37.08 41.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.788 0.327 . . . . 0.0 110.861 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -90.85 -62.16 1.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.762 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 m -114.78 156.08 25.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.886 0.374 . . . . 0.0 110.848 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -163.05 173.46 13.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.59 -171.26 31.75 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p -171.75 176.26 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.915 0.388 . . . . 0.0 110.83 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 p -154.04 174.47 14.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.2 -172.25 28.28 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.5 mmm-85 -146.71 171.26 15.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.9 p -136.84 117.5 10.94 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.64 0.733 . . . . 0.0 110.862 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -172.52 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -163.52 116.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.406 ' HD3' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -146.81 -179.72 6.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.717 HG12 HG13 ' A' ' 15' ' ' VAL . 90.7 t -49.76 131.76 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -68.77 84.1 0.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.717 HG13 HG12 ' A' ' 13' ' ' VAL . 27.5 m -127.51 163.44 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.1 mt -49.85 143.95 10.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.546 0.689 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.437 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 53.5 Cg_endo -69.8 154.44 67.6 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.301 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.3 m -79.18 -29.6 43.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.437 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 3.6 p90 -70.17 155.86 40.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -160.28 119.64 2.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.437 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -69.8 -43.78 71.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.6 p -48.13 -29.68 3.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 35.7 mmtm -90.62 28.4 1.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -117.97 128.6 75.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.9 p -139.67 156.05 47.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -139.64 145.83 38.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.5 m -146.88 143.04 28.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.13 -174.86 28.6 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -37.77 8.87 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.381 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.01 -31.22 39.58 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mt -113.31 24.46 12.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.1 t -60.77 120.74 10.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.3 p -69.34 -35.63 76.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -59.25 -33.21 70.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.05 156.61 6.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.445 HG11 ' OH ' ' A' ' 84' ' ' TYR . 28.7 m -122.56 146.22 47.0 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.614 0.721 . . . . 0.0 111.147 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 117.52 5.13 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.633 2.222 . . . . 0.0 112.392 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.41 153.36 35.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 t 55.14 42.11 30.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.648 HD13 ' HD2' ' A' ' 41' ' ' PRO . 0.4 OUTLIER -143.49 124.69 8.15 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.584 0.707 . . . . 0.0 110.935 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.648 ' HD2' HD13 ' A' ' 40' ' ' LEU . 53.4 Cg_endo -69.75 97.73 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.708 2.272 . . . . 0.0 112.308 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.544 HG13 ' CE2' ' A' ' 84' ' ' TYR . 11.4 p -112.02 151.67 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -140.53 159.48 42.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.475 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 13.6 p90 -125.44 179.54 5.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.69 130.31 48.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.9 mt -100.98 99.85 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -88.48 112.61 23.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.734 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -110.2 125.2 52.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -95.58 -56.86 2.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -122.42 29.69 6.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.734 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -79.52 13.35 2.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 46.79 -128.69 11.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -144.3 112.11 6.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.909 0.385 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -144.66 167.88 26.98 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.8 tp -74.34 110.05 8.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.858 0.361 . . . . 0.0 110.931 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.6 tp -84.88 139.76 31.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.68 147.71 45.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.0 t -119.07 124.69 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -118.57 105.38 11.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.562 HD12 ' HB2' ' A' ' 70' ' ' ALA . 74.8 mt -110.61 137.49 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.3 p -135.79 170.6 15.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.79 -176.56 2.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -52.3 -36.01 51.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -82.68 -25.74 32.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.45 38.16 4.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -100.91 155.27 36.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.565 0.698 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 135.15 29.67 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.329 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -119.06 152.56 36.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -80.31 126.82 31.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.562 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -134.55 139.99 45.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.3 mt -90.44 139.96 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.2 p -110.18 127.41 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.522 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 2.4 t60 -106.21 134.31 49.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -115.41 111.33 20.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -100.55 -28.7 12.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? 56.8 37.71 28.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -129.2 25.11 5.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 96.03 -22.3 40.33 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.2 p -113.78 174.89 5.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 111.178 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -151.96 137.55 17.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' ' 73' ' ' HIS . . . -111.75 148.67 32.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.128 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.475 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 64.4 t -143.85 126.84 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 31.3 m -103.05 143.32 32.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.589 ' CD1' ' HD3' ' A' ' 86' ' ' PRO . 9.2 p90 -149.28 127.59 12.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.411 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 54.6 mt -103.14 95.46 6.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.585 0.707 . . . . 0.0 111.127 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.589 ' HD3' ' CD1' ' A' ' 84' ' ' TYR . 53.8 Cg_endo -69.73 104.67 1.35 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -94.17 -50.6 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -75.82 103.94 6.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 81.2 p -64.79 150.43 47.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.89 -129.92 4.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -108.91 122.09 46.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -107.55 131.87 53.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 5.6 ttm -121.16 110.85 16.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 18.7 mt -107.46 120.7 59.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -112.28 102.8 1.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.2 t -84.89 137.87 20.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.869 0.366 . . . . 0.0 111.107 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.504 HG22 ' CG ' ' A' ' 102' ' ' ASP . 25.8 p -128.2 145.32 51.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -135.13 116.26 14.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.434 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . 58.05 49.36 75.93 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.547 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 60.94 32.1 78.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.514 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -151.11 119.03 6.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.504 ' CG ' HG22 ' A' ' 97' ' ' THR . 0.3 OUTLIER -76.61 146.81 37.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.669 HD11 ' HE2' ' A' ' 108' ' ' TYR . 4.8 pt -72.44 156.94 89.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.624 0.726 . . . . 0.0 111.095 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 3.9 2.52 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.673 2.248 . . . . 0.0 112.348 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.474 ' HB2' HD12 ' A' ' 103' ' ' ILE . 4.5 mm? -104.18 -23.31 13.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.537 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 4.5 p -80.19 153.81 74.54 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.709 0.766 . . . . 0.0 110.813 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 106' ' ' SER . 54.3 Cg_endo -69.65 -179.64 19.52 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.388 -0.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.669 ' HE2' HD11 ' A' ' 103' ' ' ILE . 39.7 m-85 -117.84 112.6 20.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -85.03 132.75 34.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 111' ' ' ARG . 6.8 mt -154.85 160.94 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.119 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.42 ' N ' HG22 ' A' ' 110' ' ' ILE . 14.5 ttm180 -133.93 131.12 38.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -85.29 98.18 10.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 75.3 p -59.87 103.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -61.21 142.19 56.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 40.3 p -125.33 -57.31 1.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.174 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 161.47 152.85 6.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -158.31 136.93 11.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.823 0.344 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -168.18 176.43 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 87.5 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.776 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.5 p -115.66 -43.66 3.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 110.918 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m -63.55 135.08 56.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.67 54.42 0.3 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.535 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -142.48 135.58 28.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 110.85 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -153.94 164.71 37.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.34 156.97 22.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.5 mmm-85 -139.59 136.11 34.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.1 p -159.26 141.93 10.26 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.729 . . . . 0.0 110.903 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -172.29 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.716 2.277 . . . . 0.0 112.335 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -152.32 139.35 19.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -136.79 160.64 38.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.933 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 m -49.43 117.08 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.99 142.76 34.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' LEU . 31.0 m -88.75 168.81 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 15' ' ' VAL . 14.7 mt -34.91 144.92 0.2 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.574 0.702 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.58 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 54.2 Cg_endo -69.77 153.1 69.28 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.695 2.263 . . . . 0.0 112.354 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.3 m -72.67 -31.69 65.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.58 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 7.9 p90 -67.81 157.56 34.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -144.7 120.93 10.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.465 ' O ' HG22 ' A' ' 103' ' ' ILE . . . -69.59 -51.16 37.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -49.36 -30.87 8.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.552 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 30.4 mmtm -83.91 33.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 54.5 t -117.12 123.77 72.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 p -140.19 144.4 36.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.187 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.19 153.91 43.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.8 m -145.17 149.68 35.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.77 -173.89 24.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.57 ' O ' HG12 ' A' ' 36' ' ' VAL . 54.1 Cg_endo -69.72 -37.15 9.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.344 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.46 -26.68 45.63 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.471 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.3 mt -118.25 25.1 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.4 t -69.66 120.02 14.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.2 t -61.42 -31.67 71.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -64.09 -22.5 66.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.8 158.76 10.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.5 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 29' ' ' PRO . 30.8 m -118.02 150.12 46.77 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.662 0.744 . . . . 0.0 111.12 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 115.23 4.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.45 163.24 5.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 t 39.69 40.06 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.82 HD13 ' HD2' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -139.31 126.43 12.85 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.705 . . . . 0.0 110.923 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.82 ' HD2' HD13 ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.76 97.68 0.65 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.671 2.247 . . . . 0.0 112.367 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.542 HG13 ' CE2' ' A' ' 84' ' ' TYR . 12.0 p -109.27 143.96 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -134.43 136.95 43.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.541 ' CZ ' ' HB ' ' A' ' 82' ' ' VAL . 11.2 p90 -101.53 -179.28 3.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.85 133.73 52.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.078 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.4 mt -108.09 103.92 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -102.36 119.23 38.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.832 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -108.27 125.49 51.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 83.2 mtm-85 -94.35 -56.26 2.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -121.92 24.87 9.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.832 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . . . -89.61 -14.7 34.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.26 -139.09 48.35 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -120.72 133.15 55.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.907 0.384 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.03 170.6 37.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 tp -65.27 108.81 2.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.851 0.357 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.9 tp -95.62 131.08 42.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.68 134.06 20.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 p -110.26 135.21 49.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -120.73 103.9 9.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.5 mt -96.54 133.74 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.7 p -136.55 167.31 21.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.88 -175.61 2.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -54.18 -36.02 62.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -84.55 -22.8 29.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.64 44.61 3.12 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -92.35 148.45 36.52 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.503 0.668 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 127.87 15.2 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.71 2.274 . . . . 0.0 112.344 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -118.45 159.42 23.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.1 tpp85 -95.91 144.23 26.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.18 143.53 49.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.088 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 57.4 mt -96.27 133.4 37.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.1 p -104.64 126.37 59.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -117.76 128.14 54.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.813 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -98.78 125.7 44.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -108.29 -29.7 8.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.36 31.08 20.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -124.72 29.37 6.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.02 22.52 65.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.4 p -148.62 178.07 8.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 0.0 111.126 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -151.67 133.06 14.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.47 148.09 31.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.541 ' HB ' ' CZ ' ' A' ' 44' ' ' PHE . 83.9 t -141.95 114.92 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 77.6 m -93.19 143.16 26.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.542 ' CE2' HG13 ' A' ' 42' ' ' VAL . 1.7 p90 -152.55 130.29 11.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.424 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 40.4 mt -107.36 103.86 50.2 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.602 0.715 . . . . 0.0 111.139 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.5 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 53.5 Cg_endo -69.76 120.91 7.62 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.668 2.245 . . . . 0.0 112.345 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -100.41 -57.64 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -81.55 121.25 26.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 32.2 p -72.22 156.36 39.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 133.04 -145.87 17.83 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -96.88 128.4 43.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -109.7 135.21 51.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.481 ' CG ' ' HB2' ' A' ' 107' ' ' PRO . 3.6 ttm -119.74 111.82 18.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 26.0 mt -107.39 134.76 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -123.98 100.24 0.64 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.1 t -85.42 134.86 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.9 0.381 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.587 HG22 ' CG ' ' A' ' 102' ' ' ASP . 40.2 p -125.19 140.35 52.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -130.17 112.98 13.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.515 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . 66.27 47.96 67.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 59.22 32.24 71.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.475 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -153.35 118.14 5.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.329 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.587 ' CG ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -78.37 155.23 30.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.533 HD11 ' HE1' ' A' ' 108' ' ' TYR . 21.6 pt -81.43 154.85 71.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.591 0.71 . . . . 0.0 111.145 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 5.96 1.5 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.673 2.249 . . . . 0.0 112.298 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.472 ' HB2' HD12 ' A' ' 103' ' ' ILE . 48.9 mt -103.14 -26.55 12.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.534 ' HA ' ' C ' ' A' ' 107' ' ' PRO . 8.2 p -77.16 155.36 82.32 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.674 0.75 . . . . 0.0 110.83 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 106' ' ' SER . 54.0 Cg_endo -69.78 -176.92 13.47 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.36 -0.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.533 ' HE1' HD11 ' A' ' 103' ' ' ILE . 24.0 m-85 -114.54 119.93 38.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.46 132.38 34.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 22.1 mt -151.16 154.72 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.3 mtp-105 -127.99 121.89 30.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -81.12 103.54 11.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.3 p -76.25 111.07 11.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -81.09 137.56 35.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 15.2 m -127.58 111.33 13.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.93 -60.27 8.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.58 114.54 8.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.773 0.321 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -89.5 171.06 9.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.782 . . . . . . . . 0 0 . 1 stop_ save_