data_2ys9_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 2ys9 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.406 ' CB ' HD23 ' A' ' 45' ' ' LEU . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.169 0 CA-C-O 120.828 0.262 . . . . 0.0 112.365 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -111.43 115.64 29.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.487 ' CG2' ' NE1' ' A' ' 53' ' ' TRP . 4.2 mm -90.93 -11.75 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.58 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 14.3 mt-30 -51.66 -45.68 91.38 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.609 0.719 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.4 Cg_exo -47.91 -48.8 15.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.736 2.291 . . . . 0.0 112.374 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 mt -78.16 -34.91 49.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -57.25 -48.99 77.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -69.47 -51.05 39.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -54.59 -41.08 69.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.539 ' CE2' ' OE1' ' A' ' 29' ' ' GLN . 53.5 t-105 -57.7 -61.45 2.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.3 -22.24 66.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.16 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.13 -57.16 5.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.053 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -112.5 -39.96 4.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.539 ' OE1' ' CE2' ' A' ' 25' ' ' TRP . 1.1 tp-100 70.77 35.11 1.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -146.57 119.24 8.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.8 tp -88.95 130.38 35.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -125.08 142.97 51.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.827 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -53.07 -25.37 12.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -80.34 -35.0 36.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.98 -9.9 52.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.516 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.3 mt -63.33 -58.47 15.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 0.0 111.107 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.8 Cg_endo -69.67 -33.13 17.57 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.676 2.251 . . . . 0.0 112.379 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -68.25 -42.35 79.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.7 mt -73.56 -47.03 43.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 t -49.63 -40.3 38.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -62.66 -34.41 77.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.65 -52.15 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.4 m -73.09 0.34 11.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.4 mtt85 53.48 47.04 24.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.406 HD23 ' CB ' ' A' ' 16' ' ' PRO . 37.6 mt -123.19 179.2 4.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 49' ' ' GLN . 5.1 m -91.6 145.1 24.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -41.34 -34.96 0.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.15 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -73.85 -35.14 64.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 46' ' ' SER . 13.9 mm100 -57.6 -52.13 66.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 84.3 t -60.07 -42.37 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.4 mt -57.31 -42.95 82.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -74.0 -33.87 63.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.487 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 3.1 t90 -57.38 -58.7 7.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -64.51 -50.85 65.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -48.09 -43.15 30.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.6 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.805 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.803 0.251 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -106.41 113.5 27.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.451 ' CG2' ' NE1' ' A' ' 53' ' ' TRP . 4.4 mm -91.71 -11.75 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.581 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 9.7 mt-30 -53.94 -45.72 98.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.597 0.713 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.7 Cg_exo -47.9 -45.83 23.53 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.731 2.287 . . . . 0.0 112.308 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 mt -80.07 -36.26 35.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -55.69 -50.71 69.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -64.58 -54.24 35.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -47.89 -39.93 20.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.479 ' CE2' ' HG3' ' A' ' 29' ' ' GLN . 74.1 t-105 -63.78 -58.45 6.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.26 -10.13 56.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.74 -48.9 7.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -123.85 -35.06 2.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.807 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.479 ' HG3' ' CE2' ' A' ' 25' ' ' TRP . 10.0 tt0 66.05 42.43 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -159.68 119.57 2.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.8 tp -82.17 142.27 32.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -125.83 131.31 52.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -47.55 -26.1 1.33 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.44 HG21 ' N ' ' A' ' 35' ' ' ASP . 10.0 t -81.63 -30.37 32.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.44 ' N ' HG21 ' A' ' 34' ' ' THR . 1.7 m-20 -93.96 -10.06 34.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.508 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 3.0 mt -59.71 -58.63 17.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.727 . . . . 0.0 111.198 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.6 Cg_endo -69.8 -27.85 25.77 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -73.18 -44.32 60.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 36.2 mt -73.5 -38.01 65.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.5 t -58.92 -37.9 77.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -71.32 -30.39 66.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.88 -41.88 35.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.7 m -77.7 -1.42 31.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 63.67 36.56 10.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.407 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 11.3 mt -125.9 177.24 6.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -91.69 173.4 7.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -36.44 79.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.194 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -72.83 -38.0 67.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.97 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.407 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 29.3 mm-40 -56.49 -48.38 77.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 70.5 t -65.78 -39.8 85.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.39 -45.55 93.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -70.58 -34.78 72.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.451 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 9.2 t90 -57.27 -59.49 5.04 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -58.62 -51.95 67.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -52.37 -37.45 56.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.757 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.136 0 CA-C-O 120.859 0.274 . . . . 0.0 112.307 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -104.85 103.52 13.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.446 HG21 ' NE1' ' A' ' 53' ' ' TRP . 5.9 mm -89.89 -19.94 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.087 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.582 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 20.7 mt-30 -51.18 -45.58 89.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.597 0.713 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.5 Cg_exo -48.05 -46.32 22.54 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.656 2.238 . . . . 0.0 112.33 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 mt -78.66 -39.18 37.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -53.86 -49.55 68.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -67.3 -53.75 26.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -52.36 -37.39 56.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.43 ' O ' ' CD ' ' A' ' 29' ' ' GLN . 68.8 t-105 -68.09 -54.51 17.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.415 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . . . -69.39 -4.52 18.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.73 -57.69 2.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -100.35 -36.37 9.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.43 ' CD ' ' O ' ' A' ' 25' ' ' TRP . 10.4 mp0 63.18 47.82 3.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -174.48 120.13 0.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.1 tp -81.81 144.12 31.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.6 mtp85 -129.97 136.52 49.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -48.38 -27.05 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.3 t -78.63 -36.25 44.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.46 -13.72 42.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.512 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.4 mt -55.28 -58.78 13.36 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.733 0.778 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.5 Cg_endo -69.77 -34.55 14.32 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.606 2.204 . . . . 0.0 112.341 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -65.68 -43.74 88.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 44.2 mt -73.27 -44.73 58.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.0 t -51.3 -39.83 57.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.445 ' NE2' ' HA ' ' A' ' 41' ' ' GLN . 6.4 mm-40 -61.61 -40.45 94.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.63 -40.5 73.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.0 p -81.1 -7.1 59.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? 57.25 33.09 22.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.425 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 48.6 mt -111.76 177.13 4.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 49' ' ' GLN . 12.2 p -86.21 146.4 26.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.794 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 m -41.54 -35.81 0.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.163 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -74.56 -40.02 61.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.425 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 12.3 mm100 -49.63 -52.33 31.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.9 t -59.45 -41.01 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.9 mt -57.29 -44.4 84.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -70.77 -40.83 72.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.446 ' NE1' HG21 ' A' ' 18' ' ' ILE . 8.4 t90 -52.53 -56.5 14.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -64.14 -53.46 49.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.819 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -50.15 -40.07 45.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.729 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 N--CA 1.465 -0.178 0 CA-C-O 120.826 0.261 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.42 108.13 19.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.411 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 9.4 mm -89.62 -18.78 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.584 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 27.8 mm-40 -51.16 -45.91 88.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.0 Cg_exo -47.86 -44.42 27.17 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.713 2.275 . . . . 0.0 112.381 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 mt -79.9 -39.19 30.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.422 ' HG2' ' CH2' ' A' ' 53' ' ' TRP . 11.5 mt-10 -54.6 -49.54 70.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -68.93 -52.52 28.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.528 ' CD2' HD13 ' A' ' 39' ' ' LEU . 59.3 t80 -50.98 -34.86 30.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 53.8 t-105 -63.88 -54.99 26.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.55 -3.2 39.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.22 -57.95 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -99.83 -31.32 11.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 57.72 40.34 26.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -171.93 118.85 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.963 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.6 tp -92.36 138.13 31.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -127.1 149.01 50.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -55.18 -23.57 22.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.47 HG21 ' N ' ' A' ' 35' ' ' ASP . 12.3 t -79.23 -32.76 43.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.499 ' OD2' ' CZ ' ' A' ' 24' ' ' TYR . 3.7 t70 -94.84 -11.5 28.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.814 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.51 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.6 mt -58.21 -58.7 16.95 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.598 0.713 . . . . 0.0 111.14 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 54.2 Cg_endo -69.83 -24.19 29.65 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.632 2.221 . . . . 0.0 112.401 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -74.81 -44.62 48.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.528 HD13 ' CD2' ' A' ' 24' ' ' TYR . 31.7 mt -70.34 -48.99 53.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -50.24 -44.98 53.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -59.55 -30.83 68.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.956 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.66 -41.07 19.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.6 m -77.49 -6.41 53.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 62.86 37.5 12.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.0 mt -121.89 174.05 7.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.5 m -85.74 144.99 27.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.4 m -38.46 -37.21 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.9 tp60 -69.79 -48.38 59.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -43.62 -53.01 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.8 t -57.62 -43.66 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.8 mt -56.13 -48.95 75.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -68.17 -40.83 82.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.802 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.422 ' CH2' ' HG2' ' A' ' 22' ' ' GLU . 3.0 t90 -52.67 -57.67 9.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -68.36 -37.45 80.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.22 -43.04 78.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.843 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.147 0 CA-C-O 120.816 0.257 . . . . 0.0 112.329 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.411 ' CG ' ' HA ' ' A' ' 43' ' ' SER . 1.2 p-10 -122.5 113.03 18.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.42 ' CG2' ' NE1' ' A' ' 53' ' ' TRP . 4.5 mm -90.71 -13.3 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.588 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 8.9 mt-30 -51.13 -45.61 88.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 66.1 Cg_exo -48.0 -47.9 17.83 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.329 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 mt -77.15 -37.52 53.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -56.42 -48.36 77.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.6 mtm180 -73.81 -51.08 17.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -53.15 -40.95 64.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.963 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -55.41 -53.92 50.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.89 -7.92 56.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.65 -54.5 4.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -107.1 -35.95 6.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 63.05 46.78 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -174.05 120.39 0.28 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 49.2 tp -80.98 133.31 35.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.941 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -124.89 136.84 54.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -48.68 -26.94 2.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 77.5 p -77.33 -37.53 52.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.13 -14.73 40.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.511 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.4 mt -54.61 -58.65 13.21 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.607 0.717 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 52.8 Cg_endo -69.81 -34.62 14.07 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.727 2.285 . . . . 0.0 112.284 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -65.24 -41.76 94.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.9 mt -76.9 -45.43 28.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 t -54.47 -38.86 66.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -67.84 -33.42 74.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.05 -49.18 62.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.411 ' HA ' ' CG ' ' A' ' 17' ' ' ASP . 47.1 t -78.0 -0.72 28.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 57.98 38.86 26.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.7 mt -115.7 173.2 6.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 49' ' ' GLN . 8.6 m -84.24 142.2 30.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -38.15 -34.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -72.27 -44.75 62.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 46' ' ' SER . 13.3 mm100 -47.1 -49.61 21.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.24 -44.85 99.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 mt -52.8 -41.07 63.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -72.82 -40.68 65.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.42 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 2.3 t90 -52.37 -57.98 8.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -63.19 -51.35 66.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -47.29 -42.79 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 62.2 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.793 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.466 ' CB ' HD21 ' A' ' 45' ' ' LEU . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.136 0 CA-C-O 120.787 0.245 . . . . 0.0 112.324 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.446 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.8 OUTLIER -97.74 106.71 19.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.41 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 9.6 mm -89.27 -19.57 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.571 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 9.0 mm-40 -51.09 -45.9 88.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 64.2 Cg_exo -47.97 -46.15 22.82 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.709 2.273 . . . . 0.0 112.365 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 mt -79.06 -38.52 36.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -54.25 -49.17 70.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -62.68 -57.38 11.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.595 ' CE2' ' OD2' ' A' ' 35' ' ' ASP . 37.3 t80 -51.6 -37.65 50.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.467 ' O ' ' NE2' ' A' ' 29' ' ' GLN . 70.5 t-105 -70.91 -51.07 28.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.82 -11.74 60.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.035 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.1 -56.44 2.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -99.04 -43.22 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' A' ' 25' ' ' TRP . 0.6 OUTLIER 72.16 29.58 2.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.901 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -149.93 120.42 7.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.439 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 52.9 tp -80.33 135.7 36.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.9 mmm-85 -126.13 131.2 52.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -46.65 -24.26 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 54.4 m -80.82 -34.89 33.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.595 ' OD2' ' CE2' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -88.7 -11.32 45.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.514 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.3 mt -58.67 -58.62 17.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.721 . . . . 0.0 111.098 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.8 Cg_endo -69.79 -43.5 2.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.638 2.225 . . . . 0.0 112.335 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -59.02 -40.49 85.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.1 mt -72.07 -48.03 47.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.7 t -50.08 -47.23 53.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.449 ' O ' ' NH2' ' A' ' 44' ' ' ARG . 68.0 mt-30 -59.83 -41.53 91.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.957 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.93 -34.5 78.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 88.9 p -92.44 3.62 55.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER 58.44 30.24 19.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.466 HD21 ' CB ' ' A' ' 16' ' ' PRO . 28.1 mt -109.29 177.13 4.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 49' ' ' GLN . 7.0 p -95.36 149.64 21.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -42.48 -35.67 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -76.92 -34.01 57.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' SER . 21.3 mm100 -57.73 -51.19 70.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 72.8 t -60.98 -38.95 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.34 -41.35 84.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -73.27 -38.35 65.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 9.4 t90 -53.96 -59.33 4.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.439 ' CD2' ' HB2' ' A' ' 31' ' ' LEU . 14.3 m-85 -60.28 -51.75 68.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.815 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -52.48 -40.33 62.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.8 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 -179.746 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo . . . . . 0 N--CA 1.465 -0.18 0 CA-C-O 120.781 0.242 . . . . 0.0 112.402 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -108.85 114.65 28.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.4 HG23 ' CZ2' ' A' ' 53' ' ' TRP . 3.8 mm -90.59 -17.99 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.577 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 13.3 mt-30 -51.76 -45.63 91.91 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.53 0.681 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.1 Cg_exo -48.01 -47.86 17.99 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.734 2.289 . . . . 0.0 112.329 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.0 mt -77.81 -37.89 47.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.963 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -54.58 -50.15 68.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -66.8 -52.95 37.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.923 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -50.89 -34.23 27.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.558 ' CE3' ' HA ' ' A' ' 29' ' ' GLN . 58.8 t-105 -75.25 -53.84 8.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.7 -13.98 62.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.04 -54.41 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.063 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -99.04 -37.94 9.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.558 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . 20.2 tt0 62.0 34.97 16.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -163.63 123.19 2.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.953 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 67.8 tp -87.96 141.06 28.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -124.73 143.61 50.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -56.55 -19.52 16.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.3 t -85.45 -33.88 21.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.055 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -92.1 -6.49 50.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.512 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 3.2 mt -63.93 -58.41 14.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.621 0.725 . . . . 0.0 111.158 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 54.4 Cg_endo -69.76 -18.58 36.94 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.238 . . . . 0.0 112.325 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -83.28 -48.7 10.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.3 mt -69.55 -41.88 75.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.5 t -54.41 -39.49 67.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -70.2 -26.46 63.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.59 -46.13 16.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.6 m -74.07 -2.22 23.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 64.48 36.87 8.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.44 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 8.2 mt -123.16 177.84 5.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 p -95.09 156.19 16.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.1 m -46.39 -35.1 5.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.153 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -78.11 -35.85 48.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.44 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 14.2 mm100 -57.07 -51.82 67.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 43.6 t -60.81 -39.61 82.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.7 mt -58.85 -45.57 89.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -69.57 -30.35 68.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.809 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.4 ' CZ2' HG23 ' A' ' 18' ' ' ILE . 17.1 t90 -59.36 -64.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -61.29 -29.51 69.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -55.39 -25.06 33.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.793 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.755 0.231 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.404 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 47.3 t0 -105.77 113.32 26.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.4 mm -90.42 -14.15 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.575 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 5.4 mm100 -51.49 -46.0 90.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.566 0.698 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.6 Cg_exo -47.99 -47.97 17.64 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.62 2.213 . . . . 0.0 112.361 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 mt -77.99 -37.44 47.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -54.79 -49.01 71.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -68.2 -54.61 16.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.819 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -52.8 -37.54 59.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 52.3 t-105 -62.35 -55.61 26.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.65 -6.51 44.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.085 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.82 -58.0 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -99.18 -35.03 10.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.81 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 62.07 42.97 9.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -169.77 119.43 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.0 tp -81.94 134.85 35.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -125.85 140.43 52.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -53.86 -22.08 9.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.7 p -83.5 -31.29 26.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.192 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.26 -13.01 33.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.512 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.7 mt -58.4 -58.72 16.96 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.652 0.739 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 54.5 Cg_endo -69.7 -25.56 28.76 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -75.16 -39.66 60.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.8 mt -77.7 -48.09 17.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -50.81 -26.01 5.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.464 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 1.7 pt20 -70.57 -46.7 63.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.464 ' N ' ' CG ' ' A' ' 41' ' ' GLN . . . -70.15 -44.59 68.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.07 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 m -73.92 -6.31 46.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.773 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 53.6 37.8 26.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.3 mt -112.19 -179.83 3.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 49' ' ' GLN . 4.2 m -91.91 146.76 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.8 m -42.83 -33.88 0.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.103 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -74.29 -35.81 63.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 46' ' ' SER . 14.2 mm100 -56.44 -52.37 64.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.9 t -61.55 -36.8 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.2 mt -63.53 -42.98 98.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -74.65 -37.99 62.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -53.81 -53.2 55.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -74.05 -39.34 63.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -56.83 -40.37 75.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 -179.803 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.798 0.249 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.66 112.41 25.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.431 HG23 ' NE1' ' A' ' 53' ' ' TRP . 9.6 mm -92.51 -13.65 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.641 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 26.1 mp0 -59.76 -41.2 84.53 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.524 0.678 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.6 Cg_exo -48.02 -43.02 31.4 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 mt -83.06 -38.51 22.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.976 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -54.01 -46.59 71.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -68.07 -58.08 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.598 ' CD1' ' CD2' ' A' ' 28' ' ' HIS . 83.7 t80 -50.82 -40.28 55.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -56.9 -55.2 37.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.1 -5.05 47.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.444 ' HB2' ' CD2' ' A' ' 28' ' ' HIS . . . -89.12 -58.02 2.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.598 ' CD2' ' CD1' ' A' ' 24' ' ' TYR . 4.2 m-70 -103.2 -34.52 8.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 63.43 31.76 14.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -151.23 128.12 10.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.2 tp -89.36 132.8 34.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -129.09 130.23 46.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -46.08 -23.91 0.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.3 t -79.01 -37.19 39.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.9 p30 -86.68 -14.03 43.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.51 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.4 mt -55.43 -58.63 14.32 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.558 0.694 . . . . 0.0 111.124 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.6 Cg_endo -69.77 -40.02 5.8 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.31 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -60.58 -41.68 95.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.0 mt -74.79 -44.17 50.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.3 t -54.4 -42.65 70.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -64.3 -28.2 69.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.17 -46.89 17.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.103 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.8 m -73.81 -2.49 23.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 61.19 34.88 18.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.402 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 17.4 mt -118.29 176.35 5.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 49' ' ' GLN . 12.6 p -88.48 146.1 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -40.47 -37.13 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.164 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -73.71 -39.19 64.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 46' ' ' SER . 20.7 mm-40 -51.15 -51.31 54.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.0 t -60.01 -40.51 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.9 mt -57.69 -40.42 79.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -78.55 -35.41 46.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.431 ' NE1' HG23 ' A' ' 18' ' ' ILE . 27.0 t90 -56.21 -52.75 63.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -65.87 -49.45 68.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -52.11 -35.38 47.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.728 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.827 0.261 . . . . 0.0 112.303 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.412 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -102.8 107.89 18.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.445 HG22 ' NE1' ' A' ' 53' ' ' TRP . 12.3 mm -88.68 -23.03 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.566 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 7.9 mt-30 -51.36 -45.98 89.85 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.643 0.735 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 63.9 Cg_exo -47.87 -42.23 31.35 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.692 2.261 . . . . 0.0 112.368 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 mt -83.81 -37.4 22.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.447 ' HG2' ' CZ2' ' A' ' 53' ' ' TRP . 13.8 mt-10 -55.4 -50.73 69.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -61.91 -49.29 76.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -54.63 -40.08 68.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.591 ' CZ3' ' O ' ' A' ' 29' ' ' GLN . 66.8 t-105 -71.29 -53.42 14.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.4 -2.97 9.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.06 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.58 -54.43 3.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -123.88 -15.19 6.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.591 ' O ' ' CZ3' ' A' ' 25' ' ' TRP . 17.1 mt-30 63.65 27.82 14.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -140.95 156.07 46.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.6 tp -120.95 144.7 48.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.8 mtt180 -123.89 130.49 52.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -47.55 -20.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.459 HG21 ' N ' ' A' ' 35' ' ' ASP . 9.0 t -82.95 -35.82 25.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.459 ' N ' HG21 ' A' ' 34' ' ' THR . 5.4 m-20 -88.34 -14.31 38.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.515 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.9 mt -55.16 -58.27 15.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.5 Cg_endo -69.78 -31.71 19.88 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.727 2.285 . . . . 0.0 112.321 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -67.97 -38.05 82.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.2 mt -78.12 -48.15 16.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -50.92 -25.05 4.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 2.7 pt20 -71.85 -46.53 57.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.468 ' N ' ' CG ' ' A' ' 41' ' ' GLN . . . -72.69 -36.03 67.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.2 p -74.58 -10.88 59.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 62.51 32.65 16.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.437 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 16.6 mt -119.87 172.57 7.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 49' ' ' GLN . 7.9 m -86.6 145.06 26.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.1 m -37.38 -34.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.153 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -72.79 -48.82 34.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.437 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 15.4 mm100 -43.65 -51.03 7.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.18 -44.9 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.168 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.5 mt -53.46 -39.52 64.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -75.93 -37.81 58.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.447 ' CZ2' ' HG2' ' A' ' 22' ' ' GLU . 13.1 t90 -54.13 -52.76 60.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -72.43 -37.89 68.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.23 -39.09 85.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.0 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.749 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.839 0.266 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -120.35 114.87 22.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.438 HG21 ' CZ2' ' A' ' 53' ' ' TRP . 2.8 mm -92.89 -21.95 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.576 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 6.6 mm-40 -51.7 -45.66 91.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.558 0.694 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 64.1 Cg_exo -47.93 -37.99 30.24 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.601 2.201 . . . . 0.0 112.378 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 mt -88.38 -35.11 17.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -59.49 -45.9 90.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -64.5 -59.53 4.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -48.89 -31.31 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.402 ' O ' ' N ' ' A' ' 29' ' ' GLN . 74.9 t-105 -77.97 -51.89 9.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.49 -18.25 65.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.061 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.1 -54.48 3.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.079 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -94.0 -45.49 7.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 25' ' ' TRP . 1.3 tp-100 74.26 34.41 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -166.09 137.09 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.54 HD11 ' CD2' ' A' ' 54' ' ' PHE . 43.6 tp -87.69 144.33 26.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.0 mmm-85 -129.56 132.74 46.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -49.53 -18.71 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.9 t -85.95 -30.92 22.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.447 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 1.5 m-20 -95.1 -7.41 39.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.51 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.8 mt -63.42 -58.67 14.59 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.655 0.741 . . . . 0.0 111.118 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.8 Cg_endo -69.81 -34.86 13.57 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.643 2.228 . . . . 0.0 112.349 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -68.46 -45.86 71.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.447 ' CD1' ' HB3' ' A' ' 35' ' ' ASP . 56.1 mt -70.68 -42.42 70.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.6 t -55.05 -37.28 66.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -64.65 -34.08 77.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.12 -40.61 45.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.0 p -74.52 -7.14 52.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.797 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 63.55 28.09 15.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.453 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 23.8 mt -114.88 178.0 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.6 m -92.19 150.62 20.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.6 m -39.14 -43.07 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.196 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -65.71 -45.7 81.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.453 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 14.7 mm100 -47.11 -49.72 21.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 93.8 t -62.64 -45.89 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.1 mt -54.04 -35.12 61.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -78.17 -37.26 46.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.438 ' CZ2' HG21 ' A' ' 18' ' ' ILE . 25.2 t90 -56.82 -59.41 5.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.54 ' CD2' HD11 ' A' ' 31' ' ' LEU . 55.9 m-85 -60.68 -51.86 67.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -51.07 -29.3 12.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.9 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.796 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.465 ' CB ' HD22 ' A' ' 45' ' ' LEU . 53.9 Cg_endo . . . . . 0 C--O 1.23 0.123 0 CA-C-O 120.806 0.252 . . . . 0.0 112.301 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -103.74 112.29 25.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.1 mm -90.39 -14.78 8.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.571 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 8.8 mt-30 -56.49 -45.59 99.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.606 0.717 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.5 Cg_exo -48.04 -44.16 28.65 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.721 2.281 . . . . 0.0 112.345 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mt -79.73 -51.13 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.569 ' HG2' ' CZ2' ' A' ' 53' ' ' TRP . 6.5 mm-40 -50.25 -50.93 48.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -59.8 -47.69 84.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -61.66 -35.75 78.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.419 ' O ' ' CA ' ' A' ' 29' ' ' GLN . 73.1 t-105 -64.14 -51.26 64.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.5 -19.91 60.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.43 -50.83 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -116.5 -42.01 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.419 ' CA ' ' O ' ' A' ' 25' ' ' TRP . 9.6 tt0 69.7 40.31 1.38 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -151.59 120.36 6.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.3 tp -88.5 130.6 35.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.971 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -127.04 136.72 52.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -49.64 -23.56 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 35' ' ' ASP . 10.0 t -80.2 -38.38 31.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.442 ' N ' HG23 ' A' ' 34' ' ' THR . 10.3 p30 -88.42 -7.89 55.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.805 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.513 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 3.3 mt -63.27 -58.55 15.35 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.604 0.716 . . . . 0.0 111.105 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.2 Cg_endo -69.81 -30.57 21.82 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.626 2.217 . . . . 0.0 112.329 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -69.59 -42.09 74.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 42.5 mt -75.31 -43.45 50.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 t -55.16 -38.03 67.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -66.37 -27.71 68.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.73 -46.61 12.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.0 m -71.48 -0.92 11.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 60.64 35.68 19.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.465 HD22 ' CB ' ' A' ' 16' ' ' PRO . 18.1 mt -119.3 -179.57 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 p -96.44 155.69 16.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 m -48.05 -28.8 3.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -81.74 -43.74 17.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.4 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 6.5 mm100 -47.79 -54.72 11.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.3 t -58.36 -39.98 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.5 mt -58.84 -39.89 82.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -78.56 -30.62 46.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.855 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.569 ' CZ2' ' HG2' ' A' ' 22' ' ' GLU . 25.0 t90 -60.7 -51.5 69.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -67.39 -42.24 83.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -44.53 -45.93 9.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.79 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.422 ' CB ' HD22 ' A' ' 45' ' ' LEU . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.205 0 CA-C-O 120.809 0.254 . . . . 0.0 112.38 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.65 112.56 25.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.814 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.491 ' CG2' ' CZ2' ' A' ' 53' ' ' TRP . 3.4 mm -92.4 -18.87 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.572 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 7.2 mm-40 -50.36 -45.9 83.86 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.683 0.754 . . . . 0.0 110.933 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.5 Cg_exo -48.07 -45.57 24.92 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.642 2.228 . . . . 0.0 112.37 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 mt -81.68 -36.73 28.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -55.02 -47.04 75.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.807 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -67.26 -59.4 3.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -45.46 -34.54 3.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.474 ' CE2' ' HG3' ' A' ' 29' ' ' GLN . 71.1 t-105 -64.68 -56.78 11.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.96 -19.34 64.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.071 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.9 -56.49 4.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.088 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -117.77 -34.23 4.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.474 ' HG3' ' CE2' ' A' ' 25' ' ' TRP . 6.4 tt0 65.66 46.63 2.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.96 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -162.84 121.35 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.973 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.9 tp -83.44 137.74 33.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -123.21 132.94 54.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -46.46 -25.9 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.6 m -80.94 -33.32 34.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.111 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -90.01 -10.71 43.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.51 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.4 mt -60.03 -58.74 17.2 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.674 0.749 . . . . 0.0 111.168 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.4 Cg_endo -69.77 -29.97 22.97 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -73.0 -43.25 62.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.0 mt -75.74 -45.62 35.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.1 t -53.76 -37.35 63.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -65.99 -37.07 85.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.26 -41.69 56.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -71.96 -5.84 37.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 64.06 32.18 13.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.422 HD22 ' CB ' ' A' ' 16' ' ' PRO . 4.4 mt -120.87 173.42 7.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.3 m -83.26 154.64 24.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.471 HG23 ' CG2' ' A' ' 36' ' ' ILE . 85.4 m -48.88 -31.46 7.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.184 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -79.59 -40.63 28.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -48.68 -49.93 35.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.1 t -61.27 -43.44 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.0 mt -55.61 -41.5 73.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -76.7 -30.72 56.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.491 ' CZ2' ' CG2' ' A' ' 18' ' ' ILE . 28.7 t90 -60.76 -55.69 30.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -60.04 -57.33 13.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -46.13 -36.57 6.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 -179.708 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.766 0.236 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -119.26 117.88 29.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.4 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 2.3 mm -93.61 -19.33 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.591 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 9.4 mt-30 -53.24 -45.16 98.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.539 0.685 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 63.7 Cg_exo -48.01 -41.64 32.94 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.612 2.208 . . . . 0.0 112.434 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.0 mt -85.67 -52.48 5.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 53' ' ' TRP . 6.2 mm-40 -48.94 -41.15 32.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -68.1 -46.82 69.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -61.43 -36.97 81.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.438 ' CE2' ' HG3' ' A' ' 29' ' ' GLN . 76.6 t-105 -67.82 -48.57 65.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.002 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.76 -17.25 64.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.72 -56.8 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -102.02 -41.22 6.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.438 ' HG3' ' CE2' ' A' ' 25' ' ' TRP . 8.3 tt0 72.06 42.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -169.89 135.24 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.443 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 59.2 tp -91.34 155.66 18.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -143.19 136.2 27.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -46.87 -28.59 1.63 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 t -77.72 -36.09 51.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.199 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.8 -10.27 48.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.52 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.5 mt -59.2 -58.23 21.08 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.606 0.717 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.1 Cg_endo -69.88 -31.0 20.83 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.673 2.249 . . . . 0.0 112.332 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -69.06 -37.6 78.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.6 mt -79.13 -46.17 18.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -52.27 -23.38 5.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.47 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 2.6 pt20 -74.17 -46.8 39.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.47 ' N ' ' CG ' ' A' ' 41' ' ' GLN . . . -72.71 -38.12 67.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.0 p -71.99 -14.77 61.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 66.21 30.84 9.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.409 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 15.7 mt -120.68 175.44 6.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -84.3 173.69 10.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.41 -37.46 85.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.2 tp60 -73.54 -36.67 65.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.409 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 14.0 mm100 -54.81 -50.21 69.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.89 -45.36 99.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.2 mt -57.68 -31.1 66.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -81.05 -34.08 33.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.824 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.563 ' CZ2' ' HG2' ' A' ' 22' ' ' GLU . 26.8 t90 -60.55 -58.26 9.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.443 ' CD2' ' HB2' ' A' ' 31' ' ' LEU . 14.3 m-85 -58.19 -43.18 87.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -46.54 -40.74 13.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.814 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -179.726 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.404 ' CB ' HD22 ' A' ' 45' ' ' LEU . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.83 0.262 . . . . 0.0 112.349 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 43' ' ' SER . 33.3 t0 -107.21 116.95 32.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.545 ' CG2' ' NE1' ' A' ' 53' ' ' TRP . 5.0 mm -92.87 -11.44 9.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.569 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 5.1 mm-40 -54.05 -45.57 98.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.583 0.706 . . . . 0.0 110.942 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 64.3 Cg_exo -47.99 -40.66 33.31 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.718 2.279 . . . . 0.0 112.379 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 mt -85.82 -33.77 21.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -58.97 -46.61 87.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -66.14 -59.25 3.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -48.76 -33.47 10.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.536 ' CD1' ' NE2' ' A' ' 29' ' ' GLN . 76.4 t-105 -75.92 -49.96 16.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.24 -18.52 64.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.82 -54.08 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -93.21 -46.5 7.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.536 ' NE2' ' CD1' ' A' ' 25' ' ' TRP . 0.9 OUTLIER 72.9 27.07 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -150.41 151.3 32.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.475 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 33.9 tp -109.69 146.77 34.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.2 mtt180 -138.52 131.75 30.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -45.97 -25.04 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.6 m -78.53 -37.35 43.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -87.11 -11.69 49.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.512 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.9 mt -59.07 -58.68 17.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.639 0.733 . . . . 0.0 111.153 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 54.5 Cg_endo -69.78 -37.76 8.68 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.696 2.264 . . . . 0.0 112.409 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -63.77 -44.39 93.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.3 mt -71.71 -45.18 62.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 t -51.13 -39.15 55.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -67.74 -30.29 69.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.86 -42.61 57.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 87.9 p -82.81 0.25 44.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.89 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? 60.89 32.83 20.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.406 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 16.6 mt -111.72 -177.42 3.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.4 p -95.45 160.73 14.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.9 m -52.6 -30.02 28.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -80.78 -42.11 22.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.406 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 6.8 mm100 -48.75 -54.53 14.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.4 t -58.91 -40.61 80.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 mt -57.54 -41.51 81.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -73.53 -30.9 63.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.545 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 3.5 t90 -62.09 -53.61 53.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.475 ' CD2' ' HB2' ' A' ' 31' ' ' LEU . 41.5 m-85 -67.39 -42.97 82.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -62.34 -36.98 83.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.1 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.757 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.453 ' CB ' HD21 ' A' ' 45' ' ' LEU . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.74 0.225 . . . . 0.0 112.311 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -103.08 114.72 29.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.401 ' CG2' ' NE1' ' A' ' 53' ' ' TRP . 5.4 mm -92.82 -9.18 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.58 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 14.3 mt-30 -55.37 -45.61 99.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.602 0.715 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.3 Cg_exo -47.97 -42.72 31.48 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.389 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mt -82.9 -35.64 25.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -57.27 -48.54 78.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.5 mmt-85 -68.96 -55.54 10.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.55 ' CE1' ' CE1' ' A' ' 28' ' ' HIS . 53.6 t80 -47.65 -33.71 7.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 77.6 t-105 -77.22 -50.12 13.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.89 -18.98 65.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.071 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.54 -54.64 2.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.073 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.55 ' CE1' ' CE1' ' A' ' 24' ' ' TYR . 6.8 m-70 -86.52 -47.58 9.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 71.47 38.2 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -172.14 157.08 4.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.2 tp -113.56 152.62 30.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -141.81 138.68 32.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -50.27 -24.97 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.2 p -81.01 -32.7 34.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.165 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.88 -11.15 42.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.512 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.3 mt -59.27 -58.7 17.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.655 0.74 . . . . 0.0 111.156 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.5 Cg_endo -69.8 -34.91 13.5 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.577 2.185 . . . . 0.0 112.376 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -66.54 -41.11 89.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.6 mt -75.88 -46.4 30.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 t -53.36 -35.96 60.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -69.19 -30.16 68.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.964 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.19 -52.57 10.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 85.7 p -71.78 0.84 7.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 59.83 26.7 15.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.453 HD21 ' CB ' ' A' ' 16' ' ' PRO . 16.8 mt -105.78 176.28 5.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.5 p -85.25 153.48 22.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.45 HG23 ' CG2' ' A' ' 36' ' ' ILE . 42.6 m -51.42 -26.26 7.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.0 tp60 -82.63 -36.99 25.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.969 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -53.45 -53.76 46.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 72.1 t -57.48 -38.2 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.6 mt -58.74 -42.01 87.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -74.03 -31.45 62.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.401 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 3.1 t90 -59.21 -60.59 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -62.78 -47.7 82.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -52.14 -40.85 61.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.8 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.807 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.461 ' CB ' HD23 ' A' ' 45' ' ' LEU . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.761 0.234 . . . . 0.0 112.42 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -105.9 105.93 16.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.418 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 5.6 mm -88.95 -20.45 7.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.579 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 25.5 mt-30 -49.45 -46.29 78.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.631 0.729 . . . . 0.0 110.94 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.5 Cg_exo -48.0 -46.14 22.94 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.89 -38.81 36.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.441 ' HG2' ' CH2' ' A' ' 53' ' ' TRP . 14.1 mt-10 -54.05 -49.27 69.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -70.86 -48.01 56.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.532 ' CD2' HD11 ' A' ' 39' ' ' LEU . 46.2 t80 -55.96 -37.05 68.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -62.65 -58.2 8.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.933 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.68 -4.6 35.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.94 -56.61 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -104.54 -31.95 9.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 60.85 44.28 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -171.71 119.8 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.2 tp -90.06 129.91 36.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.93 138.09 51.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -51.4 -25.51 6.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.46 HG23 ' N ' ' A' ' 35' ' ' ASP . 9.0 t -80.97 -30.28 35.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.071 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.493 ' OD2' ' CD1' ' A' ' 39' ' ' LEU . 2.5 t70 -94.89 -14.79 24.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.495 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 3.0 mt -54.94 -58.72 13.23 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.669 0.747 . . . . 0.0 111.177 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 54.7 Cg_endo -69.69 -23.17 31.4 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.752 2.302 . . . . 0.0 112.389 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -75.82 -41.93 51.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.532 HD11 ' CD2' ' A' ' 24' ' ' TYR . 38.0 mt -76.15 -44.6 37.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 t -54.24 -41.02 68.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -61.83 -32.83 73.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.1 -36.25 30.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.053 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.0 m -78.71 -4.08 47.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 63.61 28.93 15.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.461 HD23 ' CB ' ' A' ' 16' ' ' PRO . 18.9 mt -116.84 171.23 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 p -84.82 156.0 21.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.425 HG23 ' CG2' ' A' ' 36' ' ' ILE . 5.4 m -52.57 -22.86 5.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.167 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -85.39 -32.3 22.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.431 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 15.2 mm100 -60.25 -52.02 67.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.84 -38.27 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.8 mt -60.05 -40.27 88.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -77.59 -35.31 53.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.441 ' CH2' ' HG2' ' A' ' 22' ' ' GLU . 6.6 t90 -55.52 -52.66 62.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -66.83 -50.2 63.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -49.88 -41.96 46.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.5 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.832 -179.771 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.745 0.227 . . . . 0.0 112.404 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 43' ' ' SER . 42.6 t0 -117.29 114.98 24.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mm -90.79 -13.18 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.578 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 20.9 mt-30 -53.71 -45.72 98.64 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 0.0 110.928 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 66.2 Cg_exo -48.02 -43.87 29.29 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.641 2.227 . . . . 0.0 112.35 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 mt -81.65 -36.94 28.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -56.06 -48.57 75.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.9 mmm-85 -69.61 -51.44 35.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.515 ' CG ' HD11 ' A' ' 39' ' ' LEU . 47.0 t80 -51.81 -34.99 42.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.518 ' CD1' ' NE2' ' A' ' 29' ' ' GLN . 74.7 t-105 -71.21 -51.36 25.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.95 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.12 -19.07 64.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.49 -57.88 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.037 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -92.36 -45.95 7.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.518 ' NE2' ' CD1' ' A' ' 25' ' ' TRP . 1.1 tp60 69.16 39.22 1.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -171.3 121.07 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.453 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 39.4 tp -77.63 144.58 37.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -140.86 131.64 25.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.509 ' O ' ' CD ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -43.12 -27.37 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.0 m -74.97 -44.1 50.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.33 -6.72 54.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.521 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 4.0 mt -62.87 -58.11 18.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.58 0.705 . . . . 0.0 111.123 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.5 Cg_endo -69.7 -38.93 7.25 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.664 2.243 . . . . 0.0 112.334 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -59.52 -41.63 90.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.515 HD11 ' CG ' ' A' ' 24' ' ' TYR . 51.0 mt -74.42 -38.88 62.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.8 t -56.11 -37.07 68.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -67.68 -34.3 76.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.27 -50.57 45.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 38.4 t -76.58 1.19 17.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 58.79 38.26 24.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.451 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 35.7 mt -116.62 173.47 6.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 49' ' ' GLN . 3.5 p -86.99 149.61 24.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 m -43.89 -33.54 1.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.157 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -76.55 -35.43 58.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.451 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 24.5 mm100 -55.38 -51.14 67.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.2 -39.68 83.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.4 mt -58.14 -39.41 78.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -76.65 -30.99 57.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -61.77 -55.09 33.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.453 ' CD2' ' HB2' ' A' ' 31' ' ' LEU . 22.9 m-85 -63.78 -48.81 75.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -49.54 -38.83 32.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.8 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.764 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.212 0 CA-C-O 120.837 0.265 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.405 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 3.3 m-20 -115.43 110.47 19.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.418 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 3.9 mm -88.56 -22.15 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.57 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 3.9 mt-30 -50.83 -45.7 86.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.64 0.734 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.2 Cg_exo -47.99 -44.69 27.12 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.757 2.305 . . . . 0.0 112.332 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mt -82.26 -35.5 28.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -57.31 -49.5 75.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.815 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -65.44 -56.68 11.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -49.27 -35.05 16.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.563 ' CD1' ' NE2' ' A' ' 29' ' ' GLN . 75.3 t-105 -72.85 -50.92 21.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.85 -14.14 62.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.092 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.2 -57.95 2.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -92.6 -39.05 11.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.563 ' NE2' ' CD1' ' A' ' 25' ' ' TRP . 0.8 OUTLIER 63.21 43.41 6.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -174.56 130.66 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.0 tp -85.24 152.89 22.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -142.58 137.15 29.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -50.62 -23.42 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.1 t -82.62 -32.55 28.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.76 -13.86 33.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.512 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.9 mt -55.41 -58.67 14.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.677 0.751 . . . . 0.0 111.127 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.0 Cg_endo -69.8 -26.11 27.73 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.628 2.219 . . . . 0.0 112.342 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -74.23 -39.53 63.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.0 mt -77.42 -50.06 13.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.39 -22.26 4.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.506 ' C ' ' CD ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -72.89 -44.43 61.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.441 ' N ' ' CG ' ' A' ' 41' ' ' GLN . . . -75.59 -37.22 60.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.101 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.0 p -75.42 -12.16 60.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.84 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 56.8 33.28 22.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.1 mt -111.79 -176.17 2.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.404 ' C ' ' N ' ' A' ' 48' ' ' GLN . 80.8 p -88.32 142.7 27.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.8 m -44.31 -22.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.063 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.404 ' N ' ' C ' ' A' ' 46' ' ' SER . 33.9 tp60 -85.51 -45.76 11.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -46.34 -55.14 7.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.6 t -55.43 -42.53 67.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.4 mt -57.07 -38.68 73.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -79.17 -34.4 43.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 20.7 t90 -56.58 -50.36 72.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.465 ' CD2' ' CE3' ' A' ' 25' ' ' TRP . 14.7 m-85 -66.3 -43.28 86.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -56.22 -41.01 74.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.807 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.816 0.257 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -105.51 114.45 28.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.449 ' CG2' ' NE1' ' A' ' 53' ' ' TRP . 4.3 mm -91.12 -10.99 9.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.154 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.576 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 3.1 mt-30 -52.95 -45.7 97.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.662 0.744 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 66.0 Cg_exo -48.07 -44.85 27.05 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 mt -81.4 -35.73 30.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -56.37 -48.39 76.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -68.13 -55.76 11.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -48.4 -32.64 7.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -73.69 -50.68 19.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.51 -7.66 48.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.09 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.404 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . . . -101.87 -57.02 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.404 ' CD2' ' HB3' ' A' ' 27' ' ' ALA . 5.7 m-70 -93.44 -40.27 10.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 68.26 40.64 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -170.11 166.15 9.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.957 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.7 tp -118.78 145.92 45.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -137.76 132.77 33.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -48.73 -21.31 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.3 p -82.08 -35.35 28.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -89.22 -9.25 51.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.525 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.7 mt -60.98 -57.94 22.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.578 0.704 . . . . 0.0 111.169 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 52.8 Cg_endo -69.79 -34.64 14.08 Favored 'Trans proline' 0 C--O 1.23 0.111 0 C-N-CA 122.75 2.3 . . . . 0.0 112.254 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -68.12 -44.77 75.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 42' ' ' ALA . 59.6 mt -70.14 -50.0 44.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.2 t -45.44 -38.8 6.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -68.27 -31.81 71.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 39' ' ' LEU . . . -74.85 -40.29 61.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -83.76 -5.1 59.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 60.8 35.35 19.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.0 mt -115.64 -177.91 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 p -92.26 151.21 20.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 m -45.07 -34.68 2.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.194 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -76.28 -38.94 55.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -51.28 -53.48 35.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.3 t -58.82 -44.36 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.0 mt -53.84 -43.06 69.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -71.38 -33.55 69.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.449 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 2.5 t90 -57.92 -59.43 5.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -63.21 -37.19 86.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.833 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -60.67 -31.74 70.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.756 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.6 p -164.78 160.18 19.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.933 0.396 . . . . 0.0 110.782 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 m -138.96 173.48 11.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.17 141.45 11.29 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 t -171.83 143.13 1.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.835 0.35 . . . . 0.0 110.856 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 7' ' ' GLY . 19.3 t -153.88 153.8 32.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 33.9 -96.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.42 ' N ' ' O ' ' A' ' 6' ' ' SER . 54.3 Cg_endo -69.72 108.3 2.04 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.689 2.259 . . . . 0.0 112.425 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 mp -72.61 143.68 85.24 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.58 0.705 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.1 19.7 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.739 2.293 . . . . 0.0 112.368 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.3 pt -45.58 152.54 0.68 Allowed Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.667 0.746 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 148.54 65.25 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.692 2.261 . . . . 0.0 112.38 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 152.95 69.81 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 167.62 23.85 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.706 2.271 . . . . 0.0 112.379 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 149.48 67.49 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.722 2.282 . . . . 0.0 112.345 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.406 ' CB ' HD23 ' A' ' 45' ' ' LEU . 53.9 Cg_endo -69.77 168.69 20.83 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.707 2.271 . . . . 0.0 112.365 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -111.43 115.64 29.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.487 ' CG2' ' NE1' ' A' ' 53' ' ' TRP . 4.2 mm -90.93 -11.75 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.58 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 14.3 mt-30 -51.66 -45.68 91.38 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.609 0.719 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.4 Cg_exo -47.91 -48.8 15.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.736 2.291 . . . . 0.0 112.374 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 mt -78.16 -34.91 49.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -57.25 -48.99 77.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -69.47 -51.05 39.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -54.59 -41.08 69.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.539 ' CE2' ' OE1' ' A' ' 29' ' ' GLN . 53.5 t-105 -57.7 -61.45 2.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.3 -22.24 66.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.16 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.13 -57.16 5.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.053 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -112.5 -39.96 4.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.539 ' OE1' ' CE2' ' A' ' 25' ' ' TRP . 1.1 tp-100 70.77 35.11 1.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -146.57 119.24 8.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.8 tp -88.95 130.38 35.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -125.08 142.97 51.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.827 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -53.07 -25.37 12.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -80.34 -35.0 36.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.98 -9.9 52.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.516 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.3 mt -63.33 -58.47 15.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 0.0 111.107 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.8 Cg_endo -69.67 -33.13 17.57 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.676 2.251 . . . . 0.0 112.379 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -68.25 -42.35 79.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.7 mt -73.56 -47.03 43.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 t -49.63 -40.3 38.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -62.66 -34.41 77.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.65 -52.15 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.4 m -73.09 0.34 11.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.4 mtt85 53.48 47.04 24.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.406 HD23 ' CB ' ' A' ' 16' ' ' PRO . 37.6 mt -123.19 179.2 4.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 49' ' ' GLN . 5.1 m -91.6 145.1 24.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -41.34 -34.96 0.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.15 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -73.85 -35.14 64.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 46' ' ' SER . 13.9 mm100 -57.6 -52.13 66.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 84.3 t -60.07 -42.37 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.4 mt -57.31 -42.95 82.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -74.0 -33.87 63.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.487 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 3.1 t90 -57.38 -58.7 7.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -64.51 -50.85 65.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -48.09 -43.15 30.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.6 t -69.28 -34.93 75.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -67.44 -44.42 78.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.7 mt -44.94 155.83 0.39 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.654 0.74 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 108.1 2.0 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.735 2.29 . . . . 0.0 112.343 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -79.62 152.37 75.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.577 0.703 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 105.88 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.745 2.297 . . . . 0.0 112.337 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -172.76 168.22 5.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.078 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.438 ' O ' ' CD ' ' A' ' 63' ' ' GLU . 2.6 pp20? -77.87 121.46 24.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.4 t -131.7 148.25 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.186 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.6 p -50.59 -71.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 154.84 83.84 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 129.29 17.31 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.294 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 85.0 p -77.46 118.51 19.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.6 t -116.18 -42.32 3.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -135.52 132.42 37.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 m -91.89 174.78 7.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.66 63.9 2.04 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 m -146.57 171.08 15.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.87 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.7 p -76.04 92.95 3.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.803 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.45 -95.18 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -177.61 1.93 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.704 2.269 . . . . 0.0 112.294 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 mp -56.06 144.24 59.84 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.641 0.734 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 175.46 8.04 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.695 2.264 . . . . 0.0 112.367 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.1 pt -41.96 147.35 0.54 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.609 0.718 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 156.58 62.9 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.621 2.214 . . . . 0.0 112.325 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 159.86 51.79 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.692 2.262 . . . . 0.0 112.364 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 151.03 69.21 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.73 2.287 . . . . 0.0 112.318 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 110.29 2.52 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.726 2.284 . . . . 0.0 112.322 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.84 48.22 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.734 2.289 . . . . 0.0 112.335 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -106.41 113.5 27.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.451 ' CG2' ' NE1' ' A' ' 53' ' ' TRP . 4.4 mm -91.71 -11.75 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.581 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 9.7 mt-30 -53.94 -45.72 98.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.597 0.713 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.7 Cg_exo -47.9 -45.83 23.53 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.731 2.287 . . . . 0.0 112.308 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 mt -80.07 -36.26 35.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -55.69 -50.71 69.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -64.58 -54.24 35.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -47.89 -39.93 20.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.479 ' CE2' ' HG3' ' A' ' 29' ' ' GLN . 74.1 t-105 -63.78 -58.45 6.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.26 -10.13 56.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.74 -48.9 7.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -123.85 -35.06 2.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.807 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.479 ' HG3' ' CE2' ' A' ' 25' ' ' TRP . 10.0 tt0 66.05 42.43 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -159.68 119.57 2.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.8 tp -82.17 142.27 32.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -125.83 131.31 52.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -47.55 -26.1 1.33 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.44 HG21 ' N ' ' A' ' 35' ' ' ASP . 10.0 t -81.63 -30.37 32.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.44 ' N ' HG21 ' A' ' 34' ' ' THR . 1.7 m-20 -93.96 -10.06 34.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.508 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 3.0 mt -59.71 -58.63 17.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.727 . . . . 0.0 111.198 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.6 Cg_endo -69.8 -27.85 25.77 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -73.18 -44.32 60.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 36.2 mt -73.5 -38.01 65.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.5 t -58.92 -37.9 77.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -71.32 -30.39 66.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.88 -41.88 35.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.7 m -77.7 -1.42 31.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 63.67 36.56 10.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.407 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 11.3 mt -125.9 177.24 6.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -91.69 173.4 7.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -36.44 79.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.194 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -72.83 -38.0 67.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.97 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.407 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 29.3 mm-40 -56.49 -48.38 77.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 70.5 t -65.78 -39.8 85.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.39 -45.55 93.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -70.58 -34.78 72.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.451 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 9.2 t90 -57.27 -59.49 5.04 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -58.62 -51.95 67.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -52.37 -37.45 56.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.0 t -70.02 -35.93 74.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 58' ' ' LEU . 13.6 mmm180 -59.68 -41.7 91.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' ARG . 38.2 mt -36.51 147.09 0.2 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.567 0.698 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 92.97 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -130.26 144.15 52.06 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.589 0.709 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 107.94 1.98 Allowed 'Trans proline' 0 N--CA 1.466 -0.12 0 C-N-CA 122.752 2.301 . . . . 0.0 112.318 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.46 173.56 11.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -143.11 147.07 34.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.7 m -73.66 153.69 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.6 p -168.69 174.68 6.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.819 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -119.28 72.26 0.32 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 172.17 13.2 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.2 t -157.3 118.28 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.1 p -133.08 155.98 48.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.498 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -99.68 -52.31 3.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.818 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 p -67.63 88.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.27 171.23 27.13 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 m -95.98 -60.99 1.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 110.835 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.6 p -145.24 155.1 43.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.909 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.78 -166.85 28.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 176.75 6.39 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.3 mt -89.93 148.98 40.92 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.612 0.72 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 177.37 5.63 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.75 2.3 . . . . 0.0 112.32 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.3 pt -42.77 150.8 0.42 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.73 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 110.3 2.51 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.683 2.256 . . . . 0.0 112.366 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 157.38 60.62 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 165.54 30.59 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.724 2.282 . . . . 0.0 112.37 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 149.0 66.69 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.642 2.228 . . . . 0.0 112.329 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 169.96 17.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.258 . . . . 0.0 112.307 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -104.85 103.52 13.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.446 HG21 ' NE1' ' A' ' 53' ' ' TRP . 5.9 mm -89.89 -19.94 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.087 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.582 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 20.7 mt-30 -51.18 -45.58 89.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.597 0.713 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.5 Cg_exo -48.05 -46.32 22.54 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.656 2.238 . . . . 0.0 112.33 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 mt -78.66 -39.18 37.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -53.86 -49.55 68.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -67.3 -53.75 26.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -52.36 -37.39 56.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.43 ' O ' ' CD ' ' A' ' 29' ' ' GLN . 68.8 t-105 -68.09 -54.51 17.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.415 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . . . -69.39 -4.52 18.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.73 -57.69 2.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -100.35 -36.37 9.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.43 ' CD ' ' O ' ' A' ' 25' ' ' TRP . 10.4 mp0 63.18 47.82 3.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -174.48 120.13 0.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.1 tp -81.81 144.12 31.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.6 mtp85 -129.97 136.52 49.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -48.38 -27.05 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.3 t -78.63 -36.25 44.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.46 -13.72 42.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.512 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.4 mt -55.28 -58.78 13.36 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.733 0.778 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.5 Cg_endo -69.77 -34.55 14.32 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.606 2.204 . . . . 0.0 112.341 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -65.68 -43.74 88.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 44.2 mt -73.27 -44.73 58.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.0 t -51.3 -39.83 57.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.445 ' NE2' ' HA ' ' A' ' 41' ' ' GLN . 6.4 mm-40 -61.61 -40.45 94.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.63 -40.5 73.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.0 p -81.1 -7.1 59.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? 57.25 33.09 22.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.425 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 48.6 mt -111.76 177.13 4.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 49' ' ' GLN . 12.2 p -86.21 146.4 26.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.794 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 m -41.54 -35.81 0.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.163 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -74.56 -40.02 61.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.425 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 12.3 mm100 -49.63 -52.33 31.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.9 t -59.45 -41.01 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.9 mt -57.29 -44.4 84.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -70.77 -40.83 72.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.446 ' NE1' HG21 ' A' ' 18' ' ' ILE . 8.4 t90 -52.53 -56.5 14.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -64.14 -53.46 49.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.819 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.443 ' OD2' ' NE2' ' A' ' 60' ' ' GLN . 21.0 t70 -50.15 -40.07 45.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.2 t -68.08 -33.1 73.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -68.33 -47.87 66.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.41 HD11 ' N ' ' A' ' 59' ' ' PRO . 1.2 pp -73.12 150.67 90.09 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.566 0.698 . . . . 0.0 110.94 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.41 ' N ' HD11 ' A' ' 58' ' ' LEU . 53.2 Cg_endo -69.77 93.5 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.443 ' NE2' ' OD2' ' A' ' 55' ' ' ASP . 1.5 tt0 -98.5 139.34 21.08 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.634 0.731 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 90.43 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.718 2.279 . . . . 0.0 112.325 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -164.12 171.39 15.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.069 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -63.13 155.01 29.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.445 ' O ' ' C ' ' A' ' 65' ' ' SER . 95.5 t -132.48 113.32 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 64' ' ' VAL . 30.0 t -34.67 -56.55 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.23 146.33 4.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 -36.69 10.56 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 112.374 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.5 m -155.68 133.18 11.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.5 p -58.41 134.57 56.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.546 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.9 p -169.88 168.81 8.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.911 0.386 . . . . 0.0 110.852 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 p -161.18 176.1 11.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.14 148.64 17.09 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m -116.58 152.58 33.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 0.0 110.849 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.4 p -142.16 107.44 5.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.49 -159.74 27.8 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 89.97 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.638 2.225 . . . . 0.0 112.361 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 mt -38.89 144.46 0.42 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.604 0.716 . . . . 0.0 110.968 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -175.19 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.67 2.246 . . . . 0.0 112.329 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.4 pt -66.98 150.45 97.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.603 0.716 . . . . 0.0 111.168 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.66 40.87 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.617 2.211 . . . . 0.0 112.364 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.66 169.65 18.29 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 0.0 112.387 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 167.29 24.74 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 110.29 2.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.368 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 164.47 34.43 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.338 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.42 108.13 19.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.411 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 9.4 mm -89.62 -18.78 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.584 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 27.8 mm-40 -51.16 -45.91 88.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.0 Cg_exo -47.86 -44.42 27.17 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.713 2.275 . . . . 0.0 112.381 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 mt -79.9 -39.19 30.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.422 ' HG2' ' CH2' ' A' ' 53' ' ' TRP . 11.5 mt-10 -54.6 -49.54 70.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -68.93 -52.52 28.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.528 ' CD2' HD13 ' A' ' 39' ' ' LEU . 59.3 t80 -50.98 -34.86 30.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 53.8 t-105 -63.88 -54.99 26.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.55 -3.2 39.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.22 -57.95 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -99.83 -31.32 11.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 57.72 40.34 26.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -171.93 118.85 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.963 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.6 tp -92.36 138.13 31.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -127.1 149.01 50.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -55.18 -23.57 22.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.47 HG21 ' N ' ' A' ' 35' ' ' ASP . 12.3 t -79.23 -32.76 43.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.499 ' OD2' ' CZ ' ' A' ' 24' ' ' TYR . 3.7 t70 -94.84 -11.5 28.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.814 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.51 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.6 mt -58.21 -58.7 16.95 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.598 0.713 . . . . 0.0 111.14 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 54.2 Cg_endo -69.83 -24.19 29.65 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.632 2.221 . . . . 0.0 112.401 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -74.81 -44.62 48.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.528 HD13 ' CD2' ' A' ' 24' ' ' TYR . 31.7 mt -70.34 -48.99 53.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -50.24 -44.98 53.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -59.55 -30.83 68.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.956 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.66 -41.07 19.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.6 m -77.49 -6.41 53.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 62.86 37.5 12.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.0 mt -121.89 174.05 7.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.5 m -85.74 144.99 27.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.4 m -38.46 -37.21 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.9 tp60 -69.79 -48.38 59.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -43.62 -53.01 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.8 t -57.62 -43.66 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.8 mt -56.13 -48.95 75.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -68.17 -40.83 82.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.802 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.422 ' CH2' ' HG2' ' A' ' 22' ' ' GLU . 3.0 t90 -52.67 -57.67 9.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -68.36 -37.45 80.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.22 -43.04 78.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -64.82 -36.11 83.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? -67.34 -47.76 69.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.417 HD13 ' C ' ' A' ' 58' ' ' LEU . 4.3 pp -75.38 140.17 72.24 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.645 0.736 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 175.48 8.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.727 2.285 . . . . 0.0 112.267 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -138.07 150.32 66.78 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.634 0.73 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 163.33 38.6 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.734 2.29 . . . . 0.0 112.404 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -167.0 169.4 12.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.129 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -113.64 41.16 2.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.7 m -103.25 144.86 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.4 m -46.85 121.09 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -51.53 146.68 11.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.462 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 179.73 3.5 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.71 2.273 . . . . 0.0 112.276 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -84.24 80.56 9.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.7 p -77.46 102.31 6.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.808 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.456 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -160.48 128.07 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.387 . . . . 0.0 110.827 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.5 p -131.19 175.63 8.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.11 171.65 35.05 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.457 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -139.32 123.33 17.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 110.842 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 m -86.95 125.35 34.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.34 -159.62 10.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 128.83 16.61 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.747 2.298 . . . . 0.0 112.361 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -40.23 147.29 0.37 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.591 0.71 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -174.35 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.404 HD12 ' C ' ' A' ' 11' ' ' ILE . 2.7 pp -69.59 150.15 96.86 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.653 0.739 . . . . 0.0 111.069 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 110.38 2.55 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.294 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 169.63 18.55 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.602 2.201 . . . . 0.0 112.365 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 168.64 21.1 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.647 2.231 . . . . 0.0 112.278 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 110.31 2.52 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.373 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 176.82 6.24 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.734 2.29 . . . . 0.0 112.329 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.411 ' CG ' ' HA ' ' A' ' 43' ' ' SER . 1.2 p-10 -122.5 113.03 18.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.42 ' CG2' ' NE1' ' A' ' 53' ' ' TRP . 4.5 mm -90.71 -13.3 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.588 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 8.9 mt-30 -51.13 -45.61 88.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 66.1 Cg_exo -48.0 -47.9 17.83 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.329 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 mt -77.15 -37.52 53.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -56.42 -48.36 77.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.6 mtm180 -73.81 -51.08 17.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -53.15 -40.95 64.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.963 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -55.41 -53.92 50.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.89 -7.92 56.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.65 -54.5 4.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -107.1 -35.95 6.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 63.05 46.78 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -174.05 120.39 0.28 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 49.2 tp -80.98 133.31 35.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.941 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -124.89 136.84 54.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -48.68 -26.94 2.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 77.5 p -77.33 -37.53 52.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.13 -14.73 40.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.511 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.4 mt -54.61 -58.65 13.21 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.607 0.717 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 52.8 Cg_endo -69.81 -34.62 14.07 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.727 2.285 . . . . 0.0 112.284 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -65.24 -41.76 94.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.9 mt -76.9 -45.43 28.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 t -54.47 -38.86 66.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -67.84 -33.42 74.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.05 -49.18 62.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.411 ' HA ' ' CG ' ' A' ' 17' ' ' ASP . 47.1 t -78.0 -0.72 28.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 57.98 38.86 26.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.7 mt -115.7 173.2 6.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 49' ' ' GLN . 8.6 m -84.24 142.2 30.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -38.15 -34.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -72.27 -44.75 62.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 46' ' ' SER . 13.3 mm100 -47.1 -49.61 21.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.24 -44.85 99.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 mt -52.8 -41.07 63.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -72.82 -40.68 65.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.42 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 2.3 t90 -52.37 -57.98 8.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -63.19 -51.35 66.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -47.29 -42.79 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 62.2 m -64.18 -36.33 83.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -67.1 -47.07 72.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.5 mt -52.52 154.74 4.28 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.613 0.721 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 88.97 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.312 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -135.36 158.52 74.36 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 113.42 3.38 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.638 2.225 . . . . 0.0 112.337 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -162.23 173.36 14.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.054 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -125.18 96.82 4.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.1 t 63.42 47.49 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.157 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.8 p -59.41 111.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.66 146.21 19.51 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.88 -175.43 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.646 2.231 . . . . 0.0 112.251 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.9 m -151.44 127.24 10.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.2 t -95.72 95.11 8.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.447 -179.958 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -90.86 148.98 22.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.936 0.398 . . . . 0.0 110.784 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -126.55 -53.62 1.46 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.862 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.95 53.97 0.2 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.467 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 m -114.94 162.4 16.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.954 0.406 . . . . 0.0 110.885 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.5 m -49.01 113.89 0.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.77 84.98 1.18 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.454 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 118.78 5.89 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.741 2.294 . . . . 0.0 112.324 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 pp -49.94 144.53 10.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -179.39 2.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.321 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.7 pp -71.53 151.19 93.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.671 0.748 . . . . 0.0 111.083 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 118.26 5.58 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.808 2.339 . . . . 0.0 112.32 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.86 168.24 22.24 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.68 2.253 . . . . 0.0 112.326 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 168.72 20.78 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.659 2.239 . . . . 0.0 112.371 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 110.4 2.56 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.636 2.224 . . . . 0.0 112.334 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.466 ' CB ' HD21 ' A' ' 45' ' ' LEU . 53.4 Cg_endo -69.78 164.82 33.12 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.639 2.226 . . . . 0.0 112.324 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.446 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.8 OUTLIER -97.74 106.71 19.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.41 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 9.6 mm -89.27 -19.57 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.571 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 9.0 mm-40 -51.09 -45.9 88.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 64.2 Cg_exo -47.97 -46.15 22.82 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.709 2.273 . . . . 0.0 112.365 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 mt -79.06 -38.52 36.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -54.25 -49.17 70.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -62.68 -57.38 11.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.595 ' CE2' ' OD2' ' A' ' 35' ' ' ASP . 37.3 t80 -51.6 -37.65 50.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.467 ' O ' ' NE2' ' A' ' 29' ' ' GLN . 70.5 t-105 -70.91 -51.07 28.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.82 -11.74 60.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.035 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.1 -56.44 2.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -99.04 -43.22 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' A' ' 25' ' ' TRP . 0.6 OUTLIER 72.16 29.58 2.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.901 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -149.93 120.42 7.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.439 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 52.9 tp -80.33 135.7 36.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.9 mmm-85 -126.13 131.2 52.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -46.65 -24.26 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 54.4 m -80.82 -34.89 33.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.595 ' OD2' ' CE2' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -88.7 -11.32 45.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.514 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.3 mt -58.67 -58.62 17.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.721 . . . . 0.0 111.098 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.8 Cg_endo -69.79 -43.5 2.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.638 2.225 . . . . 0.0 112.335 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -59.02 -40.49 85.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.1 mt -72.07 -48.03 47.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.7 t -50.08 -47.23 53.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.449 ' O ' ' NH2' ' A' ' 44' ' ' ARG . 68.0 mt-30 -59.83 -41.53 91.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.957 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.93 -34.5 78.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 88.9 p -92.44 3.62 55.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER 58.44 30.24 19.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.466 HD21 ' CB ' ' A' ' 16' ' ' PRO . 28.1 mt -109.29 177.13 4.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 49' ' ' GLN . 7.0 p -95.36 149.64 21.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -42.48 -35.67 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -76.92 -34.01 57.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' SER . 21.3 mm100 -57.73 -51.19 70.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 72.8 t -60.98 -38.95 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.34 -41.35 84.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -73.27 -38.35 65.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 9.4 t90 -53.96 -59.33 4.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.439 ' CD2' ' HB2' ' A' ' 31' ' ' LEU . 14.3 m-85 -60.28 -51.75 68.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.815 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -52.48 -40.33 62.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.8 m -66.31 -32.62 74.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -66.5 -42.93 86.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 33.3 mt -48.76 156.0 0.95 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.613 0.721 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 89.51 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.661 2.241 . . . . 0.0 112.284 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -136.98 145.94 52.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.683 0.754 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 136.1 32.21 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.647 2.231 . . . . 0.0 112.361 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -112.95 148.95 33.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.075 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -132.78 106.64 7.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.4 t 66.05 50.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.5 p -69.25 -45.41 69.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.93 173.54 42.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 117.18 4.93 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.619 2.213 . . . . 0.0 112.336 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.6 t -115.15 163.14 16.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.2 p -48.85 152.52 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.781 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 t -156.94 155.74 31.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.836 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -158.23 163.76 37.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.32 164.32 13.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.428 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 m -106.21 162.09 13.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.843 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 7' ' ' GLY . 33.6 p -91.08 -69.18 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 33.99 -96.36 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' SER . 53.2 Cg_endo -69.8 -177.26 1.8 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.618 2.212 . . . . 0.0 112.345 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.93 85.13 33.87 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.562 0.696 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 179.63 3.59 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.337 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.1 pt -52.17 151.45 6.96 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.67 0.748 . . . . 0.0 111.091 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 147.73 63.29 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.727 2.284 . . . . 0.0 112.325 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 168.93 20.05 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.258 . . . . 0.0 112.318 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 165.81 29.64 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.722 2.281 . . . . 0.0 112.339 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 148.37 65.0 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.694 2.262 . . . . 0.0 112.314 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 165.97 29.11 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.733 2.289 . . . . 0.0 112.402 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.466 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -108.85 114.65 28.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.4 HG23 ' CZ2' ' A' ' 53' ' ' TRP . 3.8 mm -90.59 -17.99 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.577 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 13.3 mt-30 -51.76 -45.63 91.91 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.53 0.681 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.1 Cg_exo -48.01 -47.86 17.99 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.734 2.289 . . . . 0.0 112.329 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.0 mt -77.81 -37.89 47.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.963 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -54.58 -50.15 68.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -66.8 -52.95 37.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.923 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -50.89 -34.23 27.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.562 ' CZ2' ' HB3' ' A' ' 57' ' ' ARG . 58.8 t-105 -75.25 -53.84 8.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.7 -13.98 62.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.04 -54.41 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.063 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -99.04 -37.94 9.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.558 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . 20.2 tt0 62.0 34.97 16.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -163.63 123.19 2.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.953 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 67.8 tp -87.96 141.06 28.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -124.73 143.61 50.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -56.55 -19.52 16.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.3 t -85.45 -33.88 21.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.055 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -92.1 -6.49 50.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.512 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 3.2 mt -63.93 -58.41 14.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.621 0.725 . . . . 0.0 111.158 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 54.4 Cg_endo -69.76 -18.58 36.94 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.238 . . . . 0.0 112.325 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -83.28 -48.7 10.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.3 mt -69.55 -41.88 75.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.5 t -54.41 -39.49 67.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -70.2 -26.46 63.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.59 -46.13 16.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.6 m -74.07 -2.22 23.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 64.48 36.87 8.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.44 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 8.2 mt -123.16 177.84 5.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 p -95.09 156.19 16.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.1 m -46.39 -35.1 5.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.153 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -78.11 -35.85 48.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.44 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 14.2 mm100 -57.07 -51.82 67.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 43.6 t -60.81 -39.61 82.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.7 mt -58.85 -45.57 89.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -69.57 -30.35 68.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.809 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.44 ' O ' ' NH1' ' A' ' 57' ' ' ARG . 17.1 t90 -59.36 -64.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -61.29 -29.51 69.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -55.39 -25.06 33.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.415 ' HB3' ' NH2' ' A' ' 57' ' ' ARG . 2.3 m -87.18 -15.1 39.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.562 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 0.0 OUTLIER -75.31 -35.0 61.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.874 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.92 162.81 25.82 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.613 0.721 . . . . 0.0 110.943 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 108.11 2.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -65.61 145.01 99.08 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.614 0.721 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.81 104.65 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.663 2.242 . . . . 0.0 112.382 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -125.61 32.45 5.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.059 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -149.43 161.45 42.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.49 -37.43 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.463 ' O ' ' C ' ' A' ' 66' ' ' GLY . 66.1 m -108.64 123.63 49.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.796 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 65' ' ' SER . . . -32.85 96.36 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.504 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.433 ' N ' ' O ' ' A' ' 65' ' ' SER . 54.0 Cg_endo -69.78 140.64 43.08 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.629 2.219 . . . . 0.0 112.399 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.9 t -80.14 134.07 36.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 70' ' ' GLY . 8.3 t 48.38 41.77 17.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 69' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -147.22 129.0 15.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.364 . . . . 0.0 110.852 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.3 t -121.23 107.61 12.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.809 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.6 43.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.6 p -73.76 -43.21 59.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.6 p -174.51 123.05 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.99 -160.56 12.53 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.51 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -178.59 2.39 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.725 2.283 . . . . 0.0 112.384 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.448 ' N ' HD22 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -37.14 156.5 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.593 0.711 . . . . 0.0 110.88 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 164.22 35.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.2 pt -53.94 144.43 37.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.608 0.718 . . . . 0.0 111.132 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 169.44 18.92 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.737 2.291 . . . . 0.0 112.304 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 169.2 19.38 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.646 2.231 . . . . 0.0 112.371 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 146.66 60.95 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.661 2.241 . . . . 0.0 112.375 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 110.27 2.49 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.703 2.268 . . . . 0.0 112.391 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 163.98 36.25 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.344 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.404 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 47.3 t0 -105.77 113.32 26.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.4 mm -90.42 -14.15 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.575 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 5.4 mm100 -51.49 -46.0 90.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.566 0.698 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.6 Cg_exo -47.99 -47.97 17.64 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.62 2.213 . . . . 0.0 112.361 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 mt -77.99 -37.44 47.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -54.79 -49.01 71.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -68.2 -54.61 16.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.819 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -52.8 -37.54 59.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.54 ' CZ2' ' HB3' ' A' ' 57' ' ' ARG . 52.3 t-105 -62.35 -55.61 26.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.65 -6.51 44.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.085 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.82 -58.0 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -99.18 -35.03 10.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.81 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 62.07 42.97 9.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -169.77 119.43 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.0 tp -81.94 134.85 35.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -125.85 140.43 52.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -53.86 -22.08 9.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.7 p -83.5 -31.29 26.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.192 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.26 -13.01 33.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.512 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.7 mt -58.4 -58.72 16.96 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.652 0.739 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 54.5 Cg_endo -69.7 -25.56 28.76 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -75.16 -39.66 60.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.8 mt -77.7 -48.09 17.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -50.81 -26.01 5.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.464 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 1.7 pt20 -70.57 -46.7 63.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.464 ' N ' ' CG ' ' A' ' 41' ' ' GLN . . . -70.15 -44.59 68.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.07 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 m -73.92 -6.31 46.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.773 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 53.6 37.8 26.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.3 mt -112.19 -179.83 3.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 49' ' ' GLN . 4.2 m -91.91 146.76 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.8 m -42.83 -33.88 0.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.103 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -74.29 -35.81 63.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 46' ' ' SER . 14.2 mm100 -56.44 -52.37 64.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.9 t -61.55 -36.8 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.2 mt -63.53 -42.98 98.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -74.65 -37.99 62.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -53.81 -53.2 55.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -74.05 -39.34 63.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -56.83 -40.37 75.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.6 t -66.93 -37.63 84.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.54 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 4.1 mmp_? -64.71 -45.33 87.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.3 mt -54.22 151.93 12.31 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.623 0.725 . . . . 0.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 84.64 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.702 2.268 . . . . 0.0 112.378 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -137.86 144.17 43.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.625 0.726 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 116.93 4.79 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.754 2.303 . . . . 0.0 112.276 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -166.81 130.51 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -97.4 115.59 28.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.9 p -148.08 148.64 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.5 m -49.29 160.28 0.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -108.27 84.69 0.38 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.43 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 159.06 54.78 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.397 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 t -127.34 148.18 50.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.0 m -53.72 122.76 10.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.525 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.242 0 N-CA-C 112.42 -0.272 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 t -106.26 -52.92 2.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 110.888 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -66.07 129.34 39.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.918 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.88 -127.37 3.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.52 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.3 p -122.45 133.88 54.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.933 0.397 . . . . 0.0 110.876 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 m -93.42 -53.49 4.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.821 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.71 -105.32 0.11 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 108.83 2.16 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -83.29 148.3 55.55 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 158.51 56.73 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.744 2.296 . . . . 0.0 112.361 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.8 pt -60.08 149.18 75.67 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.596 0.712 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 146.25 59.67 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 169.78 18.16 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.651 2.234 . . . . 0.0 112.331 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 167.68 23.7 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.652 2.235 . . . . 0.0 112.326 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 110.3 2.53 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.639 2.226 . . . . 0.0 112.334 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 162.37 42.28 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.76 2.307 . . . . 0.0 112.347 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.66 112.41 25.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.431 HG23 ' NE1' ' A' ' 53' ' ' TRP . 9.6 mm -92.51 -13.65 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.641 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 26.1 mp0 -59.76 -41.2 84.53 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.524 0.678 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.6 Cg_exo -48.02 -43.02 31.4 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 mt -83.06 -38.51 22.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.976 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -54.01 -46.59 71.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -68.07 -58.08 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.598 ' CD1' ' CD2' ' A' ' 28' ' ' HIS . 83.7 t80 -50.82 -40.28 55.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -56.9 -55.2 37.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.1 -5.05 47.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.444 ' HB2' ' CD2' ' A' ' 28' ' ' HIS . . . -89.12 -58.02 2.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.598 ' CD2' ' CD1' ' A' ' 24' ' ' TYR . 4.2 m-70 -103.2 -34.52 8.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 63.43 31.76 14.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -151.23 128.12 10.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.2 tp -89.36 132.8 34.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -129.09 130.23 46.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -46.08 -23.91 0.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.3 t -79.01 -37.19 39.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.9 p30 -86.68 -14.03 43.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.51 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.4 mt -55.43 -58.63 14.32 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.558 0.694 . . . . 0.0 111.124 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.6 Cg_endo -69.77 -40.02 5.8 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.31 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -60.58 -41.68 95.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.0 mt -74.79 -44.17 50.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.3 t -54.4 -42.65 70.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -64.3 -28.2 69.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.17 -46.89 17.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.103 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.8 m -73.81 -2.49 23.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 61.19 34.88 18.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.402 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 17.4 mt -118.29 176.35 5.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 49' ' ' GLN . 12.6 p -88.48 146.1 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -40.47 -37.13 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.164 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -73.71 -39.19 64.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 46' ' ' SER . 20.7 mm-40 -51.15 -51.31 54.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.0 t -60.01 -40.51 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.9 mt -57.69 -40.42 79.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -78.55 -35.41 46.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.431 ' NE1' HG23 ' A' ' 18' ' ' ILE . 27.0 t90 -56.21 -52.75 63.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -65.87 -49.45 68.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -52.11 -35.38 47.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.3 t -71.9 -34.25 68.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -59.89 -39.63 85.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 38.2 mt -39.96 149.22 0.29 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.6 0.714 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 95.78 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.659 2.239 . . . . 0.0 112.347 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -102.24 148.72 35.81 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.569 0.7 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 92.39 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.64 2.226 . . . . 0.0 112.328 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -166.17 163.71 17.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -117.71 41.33 2.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.811 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.4 p -43.27 -42.54 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.7 p -148.5 170.59 17.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.69 -95.56 0.69 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 86.6 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.716 2.278 . . . . 0.0 112.289 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.5 p -54.84 -49.5 70.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 t 45.72 42.87 9.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.543 -179.92 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.223 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -172.1 165.68 6.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 p -118.74 145.4 45.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.833 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.0 149.92 5.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.434 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.6 t -152.0 117.11 5.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 110.876 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 m -149.94 150.26 31.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.49 -158.68 28.91 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.543 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 173.47 10.87 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.394 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.6 mp -40.13 144.37 0.55 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.652 0.739 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 143.17 50.07 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.354 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.447 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -66.13 144.95 98.96 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.595 0.712 . . . . 0.0 111.13 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 157.32 60.59 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.701 2.268 . . . . 0.0 112.339 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 153.53 68.94 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.618 2.212 . . . . 0.0 112.337 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 163.72 37.26 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.703 2.269 . . . . 0.0 112.298 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 114.81 3.82 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.722 2.282 . . . . 0.0 112.273 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 161.95 43.99 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.726 2.284 . . . . 0.0 112.303 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.412 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -102.8 107.89 18.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.445 HG22 ' NE1' ' A' ' 53' ' ' TRP . 12.3 mm -88.68 -23.03 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.566 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 7.9 mt-30 -51.36 -45.98 89.85 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.643 0.735 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 63.9 Cg_exo -47.87 -42.23 31.35 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.692 2.261 . . . . 0.0 112.368 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 mt -83.81 -37.4 22.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.447 ' HG2' ' CZ2' ' A' ' 53' ' ' TRP . 13.8 mt-10 -55.4 -50.73 69.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -61.91 -49.29 76.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -54.63 -40.08 68.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.591 ' CZ3' ' O ' ' A' ' 29' ' ' GLN . 66.8 t-105 -71.29 -53.42 14.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.4 -2.97 9.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.06 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.58 -54.43 3.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -123.88 -15.19 6.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.591 ' O ' ' CZ3' ' A' ' 25' ' ' TRP . 17.1 mt-30 63.65 27.82 14.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -140.95 156.07 46.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.6 tp -120.95 144.7 48.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.8 mtt180 -123.89 130.49 52.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -47.55 -20.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.459 HG21 ' N ' ' A' ' 35' ' ' ASP . 9.0 t -82.95 -35.82 25.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.459 ' N ' HG21 ' A' ' 34' ' ' THR . 5.4 m-20 -88.34 -14.31 38.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.515 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.9 mt -55.16 -58.27 15.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.5 Cg_endo -69.78 -31.71 19.88 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.727 2.285 . . . . 0.0 112.321 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -67.97 -38.05 82.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.2 mt -78.12 -48.15 16.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -50.92 -25.05 4.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 2.7 pt20 -71.85 -46.53 57.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.468 ' N ' ' CG ' ' A' ' 41' ' ' GLN . . . -72.69 -36.03 67.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.2 p -74.58 -10.88 59.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 62.51 32.65 16.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.437 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 16.6 mt -119.87 172.57 7.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 49' ' ' GLN . 7.9 m -86.6 145.06 26.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.1 m -37.38 -34.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.153 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -72.79 -48.82 34.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.437 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 15.4 mm100 -43.65 -51.03 7.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.18 -44.9 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.168 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.5 mt -53.46 -39.52 64.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -75.93 -37.81 58.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.447 ' CZ2' ' HG2' ' A' ' 22' ' ' GLU . 13.1 t90 -54.13 -52.76 60.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -72.43 -37.89 68.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.23 -39.09 85.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.0 m -69.58 -36.56 76.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -58.72 -39.96 82.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 50.3 mt -43.16 154.28 0.32 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.623 0.725 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 84.6 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.707 2.272 . . . . 0.0 112.309 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -73.12 150.88 90.18 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.631 0.729 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 121.56 8.27 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.651 2.234 . . . . 0.0 112.401 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -137.27 172.11 13.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -54.61 102.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.428 HG11 ' N ' ' A' ' 65' ' ' SER . 72.7 t -99.67 146.56 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.044 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.428 ' N ' HG11 ' A' ' 64' ' ' VAL . 2.7 m -61.88 -53.47 55.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.39 152.81 21.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.4 Cg_endo -69.7 0.68 5.25 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 67' ' ' PRO . 20.4 t -37.21 123.21 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -161.57 154.92 21.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.442 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.0 p -120.34 130.98 54.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.943 0.401 . . . . 0.0 110.838 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -170.29 143.82 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.11 -158.99 11.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 t -134.69 80.64 1.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.905 0.384 . . . . 0.0 110.866 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.7 p -172.95 138.9 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.421 ' C ' ' HD3' ' A' ' 10' ' ' PRO . . . 163.12 -161.44 33.95 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.509 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 9' ' ' LEU . 53.6 Cg_endo -69.7 82.17 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.656 2.238 . . . . 0.0 112.388 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.478 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 1.1 tt 34.17 52.29 1.17 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.721 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 9' ' ' LEU . 54.2 Cg_endo -69.8 177.39 5.65 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.673 2.249 . . . . 0.0 112.377 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.7 pp -67.18 148.79 98.74 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.668 0.746 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 149.11 66.84 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.37 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 150.31 68.2 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 166.87 26.1 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.315 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 110.33 2.53 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.68 2.253 . . . . 0.0 112.386 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 177.71 5.27 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.709 2.273 . . . . 0.0 112.296 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -120.35 114.87 22.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.438 HG21 ' CZ2' ' A' ' 53' ' ' TRP . 2.8 mm -92.89 -21.95 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.576 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 6.6 mm-40 -51.7 -45.66 91.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.558 0.694 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 64.1 Cg_exo -47.93 -37.99 30.24 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.601 2.201 . . . . 0.0 112.378 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 mt -88.38 -35.11 17.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -59.49 -45.9 90.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -64.5 -59.53 4.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -48.89 -31.31 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.402 ' O ' ' N ' ' A' ' 29' ' ' GLN . 74.9 t-105 -77.97 -51.89 9.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.49 -18.25 65.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.061 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.1 -54.48 3.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.079 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -94.0 -45.49 7.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 25' ' ' TRP . 1.3 tp-100 74.26 34.41 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -166.09 137.09 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.54 HD11 ' CD2' ' A' ' 54' ' ' PHE . 43.6 tp -87.69 144.33 26.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.0 mmm-85 -129.56 132.74 46.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -49.53 -18.71 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.9 t -85.95 -30.92 22.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.447 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 1.5 m-20 -95.1 -7.41 39.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.51 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.8 mt -63.42 -58.67 14.59 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.655 0.741 . . . . 0.0 111.118 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.8 Cg_endo -69.81 -34.86 13.57 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.643 2.228 . . . . 0.0 112.349 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -68.46 -45.86 71.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.447 ' CD1' ' HB3' ' A' ' 35' ' ' ASP . 56.1 mt -70.68 -42.42 70.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.6 t -55.05 -37.28 66.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -64.65 -34.08 77.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.12 -40.61 45.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.0 p -74.52 -7.14 52.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.797 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 63.55 28.09 15.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.453 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 23.8 mt -114.88 178.0 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.6 m -92.19 150.62 20.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.6 m -39.14 -43.07 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.196 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -65.71 -45.7 81.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.453 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 14.7 mm100 -47.11 -49.72 21.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 93.8 t -62.64 -45.89 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.1 mt -54.04 -35.12 61.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -78.17 -37.26 46.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.438 ' CZ2' HG21 ' A' ' 18' ' ' ILE . 25.2 t90 -56.82 -59.41 5.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.54 ' CD2' HD11 ' A' ' 31' ' ' LEU . 55.9 m-85 -60.68 -51.86 67.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -51.07 -29.3 12.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.9 m -80.06 -35.13 37.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -61.07 -33.93 74.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.784 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 24.0 mt -45.55 154.75 0.51 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.592 0.71 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 86.42 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.683 2.255 . . . . 0.0 112.308 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -148.65 158.04 40.5 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.526 0.679 . . . . 0.0 110.975 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 127.71 15.03 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.675 2.25 . . . . 0.0 112.423 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.53 122.52 15.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.157 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -98.74 46.79 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.448 HG23 ' N ' ' A' ' 65' ' ' SER . 8.5 p -102.06 143.98 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.448 ' N ' HG23 ' A' ' 64' ' ' VAL . 48.3 t -103.61 153.7 20.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.01 81.1 1.54 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.554 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 106.01 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.356 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.8 m -63.68 143.8 57.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.1 p -174.95 124.99 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m -152.07 163.5 39.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 110.933 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -124.72 130.17 51.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.8 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.26 -154.48 42.69 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.443 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 m -119.46 124.87 47.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -151.31 149.83 29.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.74 65.24 0.55 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.44 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 179.61 3.59 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.737 2.291 . . . . 0.0 112.33 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 28.0 mt -52.89 154.06 5.39 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.627 0.727 . . . . 0.0 110.965 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 145.26 57.26 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.732 2.288 . . . . 0.0 112.35 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.4 pp -96.74 145.74 30.11 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.617 0.722 . . . . 0.0 111.184 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 148.52 65.61 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.668 2.245 . . . . 0.0 112.383 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 147.7 63.23 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.66 2.24 . . . . 0.0 112.356 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 167.63 23.92 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.71 2.273 . . . . 0.0 112.374 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 110.36 2.54 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.618 2.212 . . . . 0.0 112.329 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.465 ' CB ' HD22 ' A' ' 45' ' ' LEU . 53.9 Cg_endo -69.76 160.16 50.72 Favored 'Trans proline' 0 C--O 1.23 0.123 0 C-N-CA 122.715 2.276 . . . . 0.0 112.301 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -103.74 112.29 25.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.1 mm -90.39 -14.78 8.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.571 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 8.8 mt-30 -56.49 -45.59 99.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.606 0.717 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.5 Cg_exo -48.04 -44.16 28.65 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.721 2.281 . . . . 0.0 112.345 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mt -79.73 -51.13 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.569 ' HG2' ' CZ2' ' A' ' 53' ' ' TRP . 6.5 mm-40 -50.25 -50.93 48.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -59.8 -47.69 84.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -61.66 -35.75 78.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.419 ' O ' ' CA ' ' A' ' 29' ' ' GLN . 73.1 t-105 -64.14 -51.26 64.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.5 -19.91 60.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.43 -50.83 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -116.5 -42.01 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.419 ' CA ' ' O ' ' A' ' 25' ' ' TRP . 9.6 tt0 69.7 40.31 1.38 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -151.59 120.36 6.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.3 tp -88.5 130.6 35.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.971 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -127.04 136.72 52.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -49.64 -23.56 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 35' ' ' ASP . 10.0 t -80.2 -38.38 31.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.442 ' N ' HG23 ' A' ' 34' ' ' THR . 10.3 p30 -88.42 -7.89 55.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.805 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.513 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 3.3 mt -63.27 -58.55 15.35 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.604 0.716 . . . . 0.0 111.105 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.2 Cg_endo -69.81 -30.57 21.82 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.626 2.217 . . . . 0.0 112.329 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -69.59 -42.09 74.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 42.5 mt -75.31 -43.45 50.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 t -55.16 -38.03 67.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -66.37 -27.71 68.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.73 -46.61 12.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.0 m -71.48 -0.92 11.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 60.64 35.68 19.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.465 HD22 ' CB ' ' A' ' 16' ' ' PRO . 18.1 mt -119.3 -179.57 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 p -96.44 155.69 16.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 m -48.05 -28.8 3.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -81.74 -43.74 17.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.4 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 6.5 mm100 -47.79 -54.72 11.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.3 t -58.36 -39.98 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.5 mt -58.84 -39.89 82.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -78.56 -30.62 46.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.855 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.569 ' CZ2' ' HG2' ' A' ' 22' ' ' GLU . 25.0 t90 -60.7 -51.5 69.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -67.39 -42.24 83.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -44.53 -45.93 9.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 t -62.22 -39.17 91.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.9 mmp_? -67.74 -46.42 72.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 pp -81.67 150.04 65.47 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.586 0.708 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.77 105.25 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.385 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -52.28 145.33 19.54 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.571 0.7 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 99.27 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.722 2.281 . . . . 0.0 112.308 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -133.37 155.87 48.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 51.73 44.7 29.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.1 t -96.81 112.84 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.4 m -46.31 169.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.08 -115.25 0.71 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.57 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -13.14 34.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.664 2.243 . . . . 0.0 112.364 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 51.7 p -55.16 174.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.6 t -141.67 125.07 16.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 m -83.95 -48.97 9.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.839 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -166.53 132.78 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.824 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.14 122.18 4.4 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.4 p -169.62 118.67 0.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.914 0.388 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 m -98.6 140.71 32.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.898 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.67 -114.05 4.02 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.438 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.64 159.58 52.97 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.714 2.276 . . . . 0.0 112.348 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 pp -55.38 149.12 29.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.569 0.699 . . . . 0.0 110.966 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 11' ' ' ILE . 53.8 Cg_endo -69.78 174.66 9.2 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.244 . . . . 0.0 112.366 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 10' ' ' PRO . 2.6 pp -34.1 148.02 0.1 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.619 0.723 . . . . 0.0 111.147 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 164.78 33.26 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.35 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 110.32 2.52 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.374 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 162.62 41.35 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.772 2.315 . . . . 0.0 112.311 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 132.53 23.52 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.695 2.263 . . . . 0.0 112.323 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.422 ' CB ' HD22 ' A' ' 45' ' ' LEU . 53.9 Cg_endo -69.78 159.29 53.95 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.672 2.248 . . . . 0.0 112.38 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.65 112.56 25.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.814 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.491 ' CG2' ' CZ2' ' A' ' 53' ' ' TRP . 3.4 mm -92.4 -18.87 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.572 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 7.2 mm-40 -50.36 -45.9 83.86 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.683 0.754 . . . . 0.0 110.933 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.5 Cg_exo -48.07 -45.57 24.92 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.642 2.228 . . . . 0.0 112.37 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 mt -81.68 -36.73 28.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -55.02 -47.04 75.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.807 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -67.26 -59.4 3.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -45.46 -34.54 3.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.474 ' CE2' ' HG3' ' A' ' 29' ' ' GLN . 71.1 t-105 -64.68 -56.78 11.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.96 -19.34 64.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.071 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.9 -56.49 4.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.088 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -117.77 -34.23 4.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.474 ' HG3' ' CE2' ' A' ' 25' ' ' TRP . 6.4 tt0 65.66 46.63 2.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.96 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -162.84 121.35 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.973 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.9 tp -83.44 137.74 33.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -123.21 132.94 54.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -46.46 -25.9 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.6 m -80.94 -33.32 34.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.111 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -90.01 -10.71 43.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.51 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.4 mt -60.03 -58.74 17.2 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.674 0.749 . . . . 0.0 111.168 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.4 Cg_endo -69.77 -29.97 22.97 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -73.0 -43.25 62.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.0 mt -75.74 -45.62 35.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.1 t -53.76 -37.35 63.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -65.99 -37.07 85.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.26 -41.69 56.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -71.96 -5.84 37.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 64.06 32.18 13.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.422 HD22 ' CB ' ' A' ' 16' ' ' PRO . 4.4 mt -120.87 173.42 7.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.3 m -83.26 154.64 24.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.471 HG23 ' CG2' ' A' ' 36' ' ' ILE . 85.4 m -48.88 -31.46 7.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.184 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -79.59 -40.63 28.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -48.68 -49.93 35.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.1 t -61.27 -43.44 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.0 mt -55.61 -41.5 73.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -76.7 -30.72 56.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.491 ' CZ2' ' CG2' ' A' ' 18' ' ' ILE . 28.7 t90 -60.76 -55.69 30.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 57' ' ' ARG . 42.3 m-85 -60.04 -57.33 13.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -46.13 -36.57 6.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.2 t -70.89 -29.22 65.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 54' ' ' PHE . 10.9 mmm180 -63.76 -31.42 72.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.2 mp -85.13 152.21 58.21 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.62 0.724 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.436 ' C ' ' HD3' ' A' ' 61' ' ' PRO . 54.0 Cg_endo -69.83 -178.93 2.6 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.627 2.218 . . . . 0.0 112.377 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.505 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 6.3 mm100 37.39 50.63 1.92 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.58 0.705 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 60' ' ' GLN . 53.7 Cg_endo -69.74 -175.21 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.76 2.307 . . . . 0.0 112.309 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -105.57 90.36 3.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.94 165.9 10.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.7 p -104.49 -32.54 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.055 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -85.73 142.51 28.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.49 -90.91 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.541 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.73 91.38 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.723 2.282 . . . . 0.0 112.311 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.0 m -171.49 167.55 6.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 70' ' ' GLY . 52.3 m 41.22 41.98 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 69' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.526 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 t -167.28 128.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.82 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.9 p -133.43 163.39 29.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.78 106.33 0.2 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.498 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 p -59.8 -38.6 82.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.916 0.389 . . . . 0.0 110.895 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t 53.32 42.8 32.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.28 -166.09 26.77 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.457 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 152.3 68.72 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.694 2.263 . . . . 0.0 112.34 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 mt -70.78 142.99 88.88 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.569 0.699 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 164.84 32.99 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.701 2.267 . . . . 0.0 112.335 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.466 HD11 ' N ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -64.31 149.58 94.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.689 0.757 . . . . 0.0 111.12 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 110.32 2.54 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.674 2.249 . . . . 0.0 112.32 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 164.5 34.22 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.635 2.223 . . . . 0.0 112.436 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 167.8 23.38 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.338 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 110.39 2.54 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.312 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -178.54 2.41 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.729 2.286 . . . . 0.0 112.321 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -119.26 117.88 29.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.4 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 2.3 mm -93.61 -19.33 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.591 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 9.4 mt-30 -53.24 -45.16 98.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.539 0.685 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 63.7 Cg_exo -48.01 -41.64 32.94 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.612 2.208 . . . . 0.0 112.434 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.0 mt -85.67 -52.48 5.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 53' ' ' TRP . 6.2 mm-40 -48.94 -41.15 32.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -68.1 -46.82 69.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -61.43 -36.97 81.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.438 ' CE2' ' HG3' ' A' ' 29' ' ' GLN . 76.6 t-105 -67.82 -48.57 65.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.002 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.76 -17.25 64.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.72 -56.8 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -102.02 -41.22 6.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.438 ' HG3' ' CE2' ' A' ' 25' ' ' TRP . 8.3 tt0 72.06 42.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -169.89 135.24 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.443 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 59.2 tp -91.34 155.66 18.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -143.19 136.2 27.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -46.87 -28.59 1.63 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 t -77.72 -36.09 51.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.199 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.8 -10.27 48.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.52 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.5 mt -59.2 -58.23 21.08 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.606 0.717 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.1 Cg_endo -69.88 -31.0 20.83 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.673 2.249 . . . . 0.0 112.332 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -69.06 -37.6 78.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.6 mt -79.13 -46.17 18.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -52.27 -23.38 5.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.47 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 2.6 pt20 -74.17 -46.8 39.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.47 ' N ' ' CG ' ' A' ' 41' ' ' GLN . . . -72.71 -38.12 67.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.0 p -71.99 -14.77 61.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 66.21 30.84 9.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.409 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 15.7 mt -120.68 175.44 6.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -84.3 173.69 10.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.41 -37.46 85.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.2 tp60 -73.54 -36.67 65.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.409 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 14.0 mm100 -54.81 -50.21 69.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.89 -45.36 99.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.2 mt -57.68 -31.1 66.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -81.05 -34.08 33.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.824 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.563 ' CZ2' ' HG2' ' A' ' 22' ' ' GLU . 26.8 t90 -60.55 -58.26 9.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.443 ' CD2' ' HB2' ' A' ' 31' ' ' LEU . 14.3 m-85 -58.19 -43.18 87.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -46.54 -40.74 13.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.814 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 m -69.43 -29.63 67.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.414 ' HG3' ' CZ3' ' A' ' 53' ' ' TRP . 4.5 mmp_? -73.04 -48.02 39.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.418 ' CD1' ' C ' ' A' ' 58' ' ' LEU . 0.5 OUTLIER -75.03 144.13 78.76 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.669 0.747 . . . . 0.0 110.86 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.79 103.73 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -125.4 144.42 47.7 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.694 0.759 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 111.37 2.8 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.66 2.24 . . . . 0.0 112.318 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -175.04 138.62 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.099 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.422 ' C ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -92.72 -175.73 4.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.422 HG22 ' C ' ' A' ' 63' ' ' GLU . 94.2 t -140.53 115.64 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.7 p -122.55 15.32 10.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.808 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 130.33 143.47 5.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.447 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 177.73 5.28 Favored 'Trans proline' 0 N--CA 1.464 -0.224 0 C-N-CA 122.724 2.283 . . . . 0.0 112.408 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.7 t -175.02 150.76 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.854 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 m 51.72 43.75 29.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.523 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.4 m -126.21 99.82 6.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.369 . . . . 0.0 110.797 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.0 m -138.43 109.45 6.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.14 92.4 0.94 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 m -100.87 115.65 30.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 110.797 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -99.03 107.23 19.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.812 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.03 -89.26 0.14 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 176.79 6.27 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.374 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.7 mt -54.3 156.52 5.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.72 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 148.1 63.84 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.672 2.248 . . . . 0.0 112.284 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.0 pt -73.02 145.2 85.99 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.672 0.749 . . . . 0.0 111.123 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.87 110.4 2.57 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.658 2.239 . . . . 0.0 112.268 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 150.34 67.83 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.737 2.291 . . . . 0.0 112.335 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.61 165.85 29.39 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.735 2.29 . . . . 0.0 112.407 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 110.28 2.53 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.678 2.252 . . . . 0.0 112.386 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.404 ' CB ' HD22 ' A' ' 45' ' ' LEU . 53.9 Cg_endo -69.69 163.76 37.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.349 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 43' ' ' SER . 33.3 t0 -107.21 116.95 32.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.545 ' CG2' ' NE1' ' A' ' 53' ' ' TRP . 5.0 mm -92.87 -11.44 9.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.569 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 5.1 mm-40 -54.05 -45.57 98.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.583 0.706 . . . . 0.0 110.942 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 64.3 Cg_exo -47.99 -40.66 33.31 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.718 2.279 . . . . 0.0 112.379 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 mt -85.82 -33.77 21.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -58.97 -46.61 87.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -66.14 -59.25 3.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -48.76 -33.47 10.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.536 ' CD1' ' NE2' ' A' ' 29' ' ' GLN . 76.4 t-105 -75.92 -49.96 16.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.24 -18.52 64.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.82 -54.08 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -93.21 -46.5 7.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.536 ' NE2' ' CD1' ' A' ' 25' ' ' TRP . 0.9 OUTLIER 72.9 27.07 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -150.41 151.3 32.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.475 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 33.9 tp -109.69 146.77 34.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.2 mtt180 -138.52 131.75 30.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -45.97 -25.04 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.6 m -78.53 -37.35 43.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -87.11 -11.69 49.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.512 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.9 mt -59.07 -58.68 17.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.639 0.733 . . . . 0.0 111.153 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 54.5 Cg_endo -69.78 -37.76 8.68 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.696 2.264 . . . . 0.0 112.409 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -63.77 -44.39 93.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.3 mt -71.71 -45.18 62.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 t -51.13 -39.15 55.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -67.74 -30.29 69.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.86 -42.61 57.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 87.9 p -82.81 0.25 44.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.89 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? 60.89 32.83 20.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.406 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 16.6 mt -111.72 -177.42 3.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.4 p -95.45 160.73 14.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.9 m -52.6 -30.02 28.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -80.78 -42.11 22.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.406 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 6.8 mm100 -48.75 -54.53 14.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.4 t -58.91 -40.61 80.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 mt -57.54 -41.51 81.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -73.53 -30.9 63.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.545 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 3.5 t90 -62.09 -53.61 53.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.475 ' CD2' ' HB2' ' A' ' 31' ' ' LEU . 41.5 m-85 -67.39 -42.97 82.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -62.34 -36.98 83.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.1 t -72.36 -31.4 65.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -63.45 -35.78 81.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.502 ' C ' ' H ' ' A' ' 60' ' ' GLN . 26.7 mt -46.46 148.65 1.59 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.591 0.71 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 18.74 0.19 Allowed 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.721 2.281 . . . . 0.0 112.393 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.502 ' H ' ' C ' ' A' ' 58' ' ' LEU . 5.9 pt20 -62.31 148.02 90.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.621 0.724 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 102.35 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.338 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -171.17 129.87 0.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.148 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.409 ' OE1' ' N ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -93.22 130.69 38.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.409 ' N ' ' OE1' ' A' ' 63' ' ' GLU . 14.1 p -129.22 143.95 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.8 p -173.1 144.94 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -153.39 150.9 22.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.63 -26.77 27.85 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.738 2.292 . . . . 0.0 112.364 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.6 m -148.16 167.25 25.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 t -104.76 119.56 39.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -142.53 142.97 32.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.351 . . . . 0.0 110.889 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -149.3 116.84 6.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.95 130.01 6.66 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.441 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -169.83 131.08 1.05 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.907 0.384 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.4 p -130.4 168.22 17.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.02 -94.47 0.67 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.415 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 158.22 57.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.634 2.223 . . . . 0.0 112.346 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.0 mt -68.93 149.69 97.8 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.623 0.725 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 137.69 36.27 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.396 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.452 HD12 ' N ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -72.07 144.94 88.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.628 0.728 . . . . 0.0 111.133 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 110.37 2.54 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.338 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 148.93 65.76 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 166.72 26.66 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.71 2.273 . . . . 0.0 112.328 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 110.31 2.52 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.749 2.3 . . . . 0.0 112.366 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.453 ' CB ' HD21 ' A' ' 45' ' ' LEU . 53.4 Cg_endo -69.74 163.74 37.12 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.744 2.296 . . . . 0.0 112.311 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -103.08 114.72 29.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.401 ' CG2' ' NE1' ' A' ' 53' ' ' TRP . 5.4 mm -92.82 -9.18 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.58 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 14.3 mt-30 -55.37 -45.61 99.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.602 0.715 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.3 Cg_exo -47.97 -42.72 31.48 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.389 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mt -82.9 -35.64 25.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -57.27 -48.54 78.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.5 mmt-85 -68.96 -55.54 10.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.55 ' CE1' ' CE1' ' A' ' 28' ' ' HIS . 53.6 t80 -47.65 -33.71 7.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 77.6 t-105 -77.22 -50.12 13.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.89 -18.98 65.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.071 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.54 -54.64 2.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.073 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.55 ' CE1' ' CE1' ' A' ' 24' ' ' TYR . 6.8 m-70 -86.52 -47.58 9.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 71.47 38.2 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -172.14 157.08 4.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.2 tp -113.56 152.62 30.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -141.81 138.68 32.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -50.27 -24.97 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.2 p -81.01 -32.7 34.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.165 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.88 -11.15 42.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.512 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.3 mt -59.27 -58.7 17.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.655 0.74 . . . . 0.0 111.156 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.5 Cg_endo -69.8 -34.91 13.5 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.577 2.185 . . . . 0.0 112.376 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -66.54 -41.11 89.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.6 mt -75.88 -46.4 30.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 t -53.36 -35.96 60.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -69.19 -30.16 68.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.964 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.19 -52.57 10.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 85.7 p -71.78 0.84 7.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 59.83 26.7 15.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.453 HD21 ' CB ' ' A' ' 16' ' ' PRO . 16.8 mt -105.78 176.28 5.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.5 p -85.25 153.48 22.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.45 HG23 ' CG2' ' A' ' 36' ' ' ILE . 42.6 m -51.42 -26.26 7.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.0 tp60 -82.63 -36.99 25.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.969 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -53.45 -53.76 46.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 72.1 t -57.48 -38.2 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.6 mt -58.74 -42.01 87.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -74.03 -31.45 62.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.401 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 3.1 t90 -59.21 -60.59 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -62.78 -47.7 82.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -52.14 -40.85 61.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.8 t -67.02 -35.53 80.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.6 mmt-85 -62.87 -40.51 97.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.511 ' C ' ' H ' ' A' ' 60' ' ' GLN . 80.6 mt -44.3 150.29 0.65 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.626 0.727 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 18.69 0.19 Allowed 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.784 2.323 . . . . 0.0 112.341 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.511 ' H ' ' C ' ' A' ' 58' ' ' LEU . 71.8 mt-30 -70.99 156.86 91.49 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.612 0.72 . . . . 0.0 110.853 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 107.45 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.653 2.236 . . . . 0.0 112.32 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -172.32 153.8 3.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -85.06 165.93 17.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.6 p -142.72 139.73 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.6 t -76.58 -59.58 2.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -179.9 147.0 7.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.535 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -4.57 14.26 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.728 2.285 . . . . 0.0 112.315 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.5 m 40.91 38.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.921 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.7 p -55.57 150.94 11.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.8 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.447 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.533 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.0 m 42.58 42.0 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.84 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 m -114.21 169.85 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.59 73.35 0.51 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.558 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -80.04 -62.42 1.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.359 . . . . 0.0 110.871 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 m -76.21 133.57 40.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.64 177.14 36.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 177.3 5.68 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.1 mt -112.01 152.16 44.1 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.576 0.703 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.86 -177.04 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.302 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.1 pt -43.01 147.05 0.7 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.661 0.744 . . . . 0.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.65 147.16 62.97 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.452 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 168.39 21.65 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.627 2.218 . . . . 0.0 112.362 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 169.93 17.79 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 110.28 2.51 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.694 2.263 . . . . 0.0 112.336 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.461 ' CB ' HD23 ' A' ' 45' ' ' LEU . 54.3 Cg_endo -69.65 161.52 45.6 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.42 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -105.9 105.93 16.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.418 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 5.6 mm -88.95 -20.45 7.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.579 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 25.5 mt-30 -49.45 -46.29 78.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.631 0.729 . . . . 0.0 110.94 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.5 Cg_exo -48.0 -46.14 22.94 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.89 -38.81 36.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' HG2' ' CH2' ' A' ' 53' ' ' TRP . 14.1 mt-10 -54.05 -49.27 69.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -70.86 -48.01 56.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.532 ' CD2' HD11 ' A' ' 39' ' ' LEU . 46.2 t80 -55.96 -37.05 68.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -62.65 -58.2 8.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.933 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.68 -4.6 35.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.94 -56.61 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -104.54 -31.95 9.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 60.85 44.28 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -171.71 119.8 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.2 tp -90.06 129.91 36.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.93 138.09 51.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -51.4 -25.51 6.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.46 HG23 ' N ' ' A' ' 35' ' ' ASP . 9.0 t -80.97 -30.28 35.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.071 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.493 ' OD2' ' CD1' ' A' ' 39' ' ' LEU . 2.5 t70 -94.89 -14.79 24.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.495 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 3.0 mt -54.94 -58.72 13.23 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.669 0.747 . . . . 0.0 111.177 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 54.7 Cg_endo -69.69 -23.17 31.4 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.752 2.302 . . . . 0.0 112.389 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -75.82 -41.93 51.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.532 HD11 ' CD2' ' A' ' 24' ' ' TYR . 38.0 mt -76.15 -44.6 37.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 t -54.24 -41.02 68.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -61.83 -32.83 73.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.1 -36.25 30.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.053 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.0 m -78.71 -4.08 47.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 63.61 28.93 15.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.461 HD23 ' CB ' ' A' ' 16' ' ' PRO . 18.9 mt -116.84 171.23 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 p -84.82 156.0 21.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.425 HG23 ' CG2' ' A' ' 36' ' ' ILE . 5.4 m -52.57 -22.86 5.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.167 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -85.39 -32.3 22.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.431 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 15.2 mm100 -60.25 -52.02 67.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.84 -38.27 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.8 mt -60.05 -40.27 88.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -77.59 -35.31 53.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.441 ' CH2' ' HG2' ' A' ' 22' ' ' GLU . 6.6 t90 -55.52 -52.66 62.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -66.83 -50.2 63.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -49.88 -41.96 46.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.5 m -65.19 -36.39 84.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.832 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.6 mmt-85 -66.15 -41.64 90.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.507 ' C ' ' H ' ' A' ' 60' ' ' GLN . 25.4 mt -42.63 154.31 0.29 Allowed Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.679 0.752 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 18.79 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.595 2.196 . . . . 0.0 112.338 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.507 ' H ' ' C ' ' A' ' 58' ' ' LEU . 2.3 tt0 -74.92 139.21 73.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.585 0.707 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 118.63 5.8 Favored 'Trans proline' 0 C--O 1.23 0.121 0 C-N-CA 122.672 2.248 . . . . 0.0 112.319 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -131.12 121.65 25.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -109.17 43.93 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.8 m -93.32 171.67 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.1 m -115.9 -51.0 2.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.96 73.31 0.63 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.506 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 118.33 5.61 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.709 2.272 . . . . 0.0 112.42 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.2 t -88.61 153.23 21.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.5 t -154.77 121.82 5.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.506 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.6 p 44.15 42.42 4.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.895 0.379 . . . . 0.0 110.887 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.7 m -78.14 -56.05 4.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.09 -172.77 49.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.515 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.6 p -155.05 153.85 31.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.824 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -108.61 161.64 14.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.42 -101.45 1.57 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.42 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 171.77 13.85 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 pp -41.04 156.8 0.2 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.547 0.689 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 163.28 38.85 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.751 2.301 . . . . 0.0 112.309 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.448 ' CD1' ' C ' ' A' ' 11' ' ' ILE . 2.3 pp -81.33 144.16 53.24 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.665 0.745 . . . . 0.0 111.168 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 151.65 68.72 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.637 2.225 . . . . 0.0 112.336 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.41 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 54.1 Cg_endo -69.71 110.36 2.52 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.337 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 13' ' ' PRO . 53.3 Cg_endo -69.9 169.73 18.41 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.652 2.235 . . . . 0.0 112.305 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 110.28 2.52 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.683 2.256 . . . . 0.0 112.327 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 175.45 8.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.64 2.227 . . . . 0.0 112.404 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 43' ' ' SER . 42.6 t0 -117.29 114.98 24.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mm -90.79 -13.18 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.578 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 20.9 mt-30 -53.71 -45.72 98.64 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 0.0 110.928 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 66.2 Cg_exo -48.02 -43.87 29.29 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.641 2.227 . . . . 0.0 112.35 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 mt -81.65 -36.94 28.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -56.06 -48.57 75.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.9 mmm-85 -69.61 -51.44 35.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.515 ' CG ' HD11 ' A' ' 39' ' ' LEU . 47.0 t80 -51.81 -34.99 42.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.518 ' CD1' ' NE2' ' A' ' 29' ' ' GLN . 74.7 t-105 -71.21 -51.36 25.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.95 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.12 -19.07 64.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.49 -57.88 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.037 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -92.36 -45.95 7.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.518 ' NE2' ' CD1' ' A' ' 25' ' ' TRP . 1.1 tp60 69.16 39.22 1.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -171.3 121.07 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.453 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 39.4 tp -77.63 144.58 37.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -140.86 131.64 25.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.509 ' O ' ' CD ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -43.12 -27.37 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.0 m -74.97 -44.1 50.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.33 -6.72 54.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.521 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 4.0 mt -62.87 -58.11 18.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.58 0.705 . . . . 0.0 111.123 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.5 Cg_endo -69.7 -38.93 7.25 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.664 2.243 . . . . 0.0 112.334 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -59.52 -41.63 90.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.515 HD11 ' CG ' ' A' ' 24' ' ' TYR . 51.0 mt -74.42 -38.88 62.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.8 t -56.11 -37.07 68.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -67.68 -34.3 76.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.27 -50.57 45.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 38.4 t -76.58 1.19 17.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 58.79 38.26 24.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.451 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 35.7 mt -116.62 173.47 6.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 49' ' ' GLN . 3.5 p -86.99 149.61 24.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 m -43.89 -33.54 1.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.157 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -76.55 -35.43 58.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.451 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 24.5 mm100 -55.38 -51.14 67.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.2 -39.68 83.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.4 mt -58.14 -39.41 78.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -76.65 -30.99 57.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.423 ' CZ3' ' HG3' ' A' ' 57' ' ' ARG . 18.5 t90 -61.77 -55.09 33.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.453 ' CD2' ' HB2' ' A' ' 31' ' ' LEU . 22.9 m-85 -63.78 -48.81 75.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -49.54 -38.83 32.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.8 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 57.8 m -70.12 -35.44 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.423 ' HG3' ' CZ3' ' A' ' 53' ' ' TRP . 3.5 mmp_? -61.45 -31.23 71.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.512 ' C ' ' H ' ' A' ' 60' ' ' GLN . 20.7 mt -48.38 151.54 1.87 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.599 0.714 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 18.57 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.512 ' H ' ' C ' ' A' ' 58' ' ' LEU . 33.5 mt-30 -47.64 146.48 3.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.555 0.693 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 176.79 6.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.295 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -114.27 104.55 12.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.173 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -66.8 120.85 14.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.955 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 65' ' ' SER . 48.8 t -83.36 137.34 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.407 ' N ' HG13 ' A' ' 64' ' ' VAL . 76.5 p -46.27 161.03 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.816 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.22 -159.06 27.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.423 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -178.14 2.2 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.715 2.277 . . . . 0.0 112.326 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.2 m -144.31 170.04 16.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.2 t -94.24 -52.26 4.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.83 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m -113.98 133.54 55.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.937 0.399 . . . . 0.0 110.906 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.0 p -158.92 140.28 13.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.9 -141.42 11.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 t -126.4 115.47 19.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 p -167.72 148.57 5.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' C ' ' HD3' ' A' ' 10' ' ' PRO . . . 158.86 173.9 27.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.525 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 9' ' ' LEU . 54.3 Cg_endo -69.73 83.36 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.429 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.47 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 11.9 mt 33.33 52.8 1.03 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.641 0.734 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 9' ' ' LEU . 54.1 Cg_endo -69.76 -174.02 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.312 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.2 pt -73.45 150.88 89.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.585 0.707 . . . . 0.0 111.157 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 159.06 54.79 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.325 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.66 145.05 56.51 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.702 2.268 . . . . 0.0 112.374 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.77 164.5 34.3 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.631 2.221 . . . . 0.0 112.409 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 110.31 2.52 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.71 2.273 . . . . 0.0 112.362 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 174.12 9.9 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.737 2.291 . . . . 0.0 112.337 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.405 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 3.3 m-20 -115.43 110.47 19.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.418 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 3.9 mm -88.56 -22.15 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.57 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 3.9 mt-30 -50.83 -45.7 86.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.64 0.734 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.2 Cg_exo -47.99 -44.69 27.12 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.757 2.305 . . . . 0.0 112.332 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mt -82.26 -35.5 28.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -57.31 -49.5 75.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.815 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -65.44 -56.68 11.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -49.27 -35.05 16.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.563 ' CD1' ' NE2' ' A' ' 29' ' ' GLN . 75.3 t-105 -72.85 -50.92 21.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.85 -14.14 62.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.092 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.2 -57.95 2.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -92.6 -39.05 11.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.563 ' NE2' ' CD1' ' A' ' 25' ' ' TRP . 0.8 OUTLIER 63.21 43.41 6.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -174.56 130.66 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.0 tp -85.24 152.89 22.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -142.58 137.15 29.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -50.62 -23.42 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.1 t -82.62 -32.55 28.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.76 -13.86 33.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.512 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.9 mt -55.41 -58.67 14.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.677 0.751 . . . . 0.0 111.127 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.0 Cg_endo -69.8 -26.11 27.73 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.628 2.219 . . . . 0.0 112.342 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -74.23 -39.53 63.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.0 mt -77.42 -50.06 13.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.39 -22.26 4.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.506 ' C ' ' CD ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -72.89 -44.43 61.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.441 ' N ' ' CG ' ' A' ' 41' ' ' GLN . . . -75.59 -37.22 60.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.101 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.0 p -75.42 -12.16 60.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.84 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 56.8 33.28 22.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.1 mt -111.79 -176.17 2.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.404 ' C ' ' N ' ' A' ' 48' ' ' GLN . 80.8 p -88.32 142.7 27.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.8 m -44.31 -22.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.063 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.404 ' N ' ' C ' ' A' ' 46' ' ' SER . 33.9 tp60 -85.51 -45.76 11.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -46.34 -55.14 7.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.6 t -55.43 -42.53 67.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.4 mt -57.07 -38.68 73.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -79.17 -34.4 43.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.49 ' CZ3' ' HG3' ' A' ' 57' ' ' ARG . 20.7 t90 -56.58 -50.36 72.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.465 ' CD2' ' CE3' ' A' ' 25' ' ' TRP . 14.7 m-85 -66.3 -43.28 86.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -56.22 -41.01 74.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 m -68.11 -37.11 80.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.49 ' HG3' ' CZ3' ' A' ' 53' ' ' TRP . 1.8 mmp_? -56.29 -33.35 65.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.3 mt -52.69 149.1 11.71 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.61 0.719 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.434 ' C ' ' HD3' ' A' ' 61' ' ' PRO . 53.6 Cg_endo -69.85 177.23 5.86 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.745 2.297 . . . . 0.0 112.29 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.62 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 10.5 tt0 51.9 43.6 1.69 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.605 0.717 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 60' ' ' GLN . 53.9 Cg_endo -69.77 175.89 7.51 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.256 . . . . 0.0 112.359 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.55 177.93 4.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -60.46 139.29 57.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -153.5 139.5 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.8 t -66.25 -53.31 38.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.79 80.45 0.68 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.538 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -4.38 13.93 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.641 2.227 . . . . 0.0 112.328 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.2 t -42.51 138.75 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.6 p -126.01 162.46 25.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.897 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.477 -179.962 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.6 t -172.76 162.17 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.898 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -173.94 171.5 3.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.72 135.5 4.41 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -174.82 169.94 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.86 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 7' ' ' GLY . 68.1 p -113.78 153.87 28.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.15 -97.43 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 6' ' ' SER . 54.0 Cg_endo -69.71 130.69 19.85 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.653 2.235 . . . . 0.0 112.35 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 pp -92.5 143.05 26.63 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.613 0.721 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -172.12 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.751 2.3 . . . . 0.0 112.37 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.0 pt -45.27 153.47 0.55 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.567 0.699 . . . . 0.0 111.153 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.89 146.38 59.2 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 167.5 24.24 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.654 2.236 . . . . 0.0 112.421 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 168.92 20.21 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 147.09 62.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 168.74 20.82 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.623 2.216 . . . . 0.0 112.324 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -105.51 114.45 28.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.449 ' CG2' ' NE1' ' A' ' 53' ' ' TRP . 4.3 mm -91.12 -10.99 9.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.154 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.576 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 3.1 mt-30 -52.95 -45.7 97.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.662 0.744 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 66.0 Cg_exo -48.07 -44.85 27.05 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 mt -81.4 -35.73 30.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -56.37 -48.39 76.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -68.13 -55.76 11.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -48.4 -32.64 7.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -73.69 -50.68 19.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.51 -7.66 48.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.09 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.404 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . . . -101.87 -57.02 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.404 ' CD2' ' HB3' ' A' ' 27' ' ' ALA . 5.7 m-70 -93.44 -40.27 10.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 68.26 40.64 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -170.11 166.15 9.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.957 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.7 tp -118.78 145.92 45.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -137.76 132.77 33.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -48.73 -21.31 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.3 p -82.08 -35.35 28.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -89.22 -9.25 51.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.525 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.7 mt -60.98 -57.94 22.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.578 0.704 . . . . 0.0 111.169 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 52.8 Cg_endo -69.79 -34.64 14.08 Favored 'Trans proline' 0 C--O 1.23 0.111 0 C-N-CA 122.75 2.3 . . . . 0.0 112.254 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -68.12 -44.77 75.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 42' ' ' ALA . 59.6 mt -70.14 -50.0 44.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.2 t -45.44 -38.8 6.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -68.27 -31.81 71.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 39' ' ' LEU . . . -74.85 -40.29 61.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -83.76 -5.1 59.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 60.8 35.35 19.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.0 mt -115.64 -177.91 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 p -92.26 151.21 20.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 m -45.07 -34.68 2.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.194 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -76.28 -38.94 55.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -51.28 -53.48 35.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.3 t -58.82 -44.36 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.0 mt -53.84 -43.06 69.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -71.38 -33.55 69.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.449 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 2.5 t90 -57.92 -59.43 5.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -63.21 -37.19 86.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.833 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -60.67 -31.74 70.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 m -79.61 -19.32 49.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -87.48 -26.38 23.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.542 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 8.4 mt -53.66 -57.18 18.49 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.71 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.6 Cg_endo -69.84 99.84 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.585 2.19 . . . . 0.0 112.34 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.47 ' C ' ' O ' ' A' ' 59' ' ' PRO . 70.6 mt-30 -32.53 95.94 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.561 0.696 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.445 ' N ' ' O ' ' A' ' 59' ' ' PRO . 54.7 Cg_endo -69.73 -178.34 2.28 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.747 2.298 . . . . 0.0 112.391 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.37 106.52 18.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -69.63 145.53 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.6 m -118.23 -12.29 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.156 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -107.1 141.82 37.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -108.0 -91.97 2.22 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.515 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 101.26 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.703 2.269 . . . . 0.0 112.346 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.6 t -174.32 123.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.4 t -93.24 101.23 13.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.56 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.169 0 CA-C-O 120.828 0.262 . . . . 0.0 112.365 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -111.43 115.64 29.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.487 ' CG2' ' NE1' ' A' ' 53' ' ' TRP . 4.2 mm -90.93 -11.75 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.58 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 14.3 mt-30 -51.66 -45.68 91.38 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.609 0.719 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.4 Cg_exo -47.91 -48.8 15.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.736 2.291 . . . . 0.0 112.374 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.629 HD22 ' HE1' ' A' ' 54' ' ' PHE . 2.9 mt -78.16 -34.91 49.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -57.25 -48.99 77.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -69.47 -51.05 39.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -54.59 -41.08 69.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.539 ' CE2' ' OE1' ' A' ' 29' ' ' GLN . 53.5 t-105 -57.7 -61.45 2.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.3 -22.24 66.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.16 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.13 -57.16 5.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.053 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -112.5 -39.96 4.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.539 ' OE1' ' CE2' ' A' ' 25' ' ' TRP . 1.1 tp-100 70.77 35.11 1.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -146.57 119.24 8.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.473 HD11 HG12 ' A' ' 36' ' ' ILE . 48.8 tp -88.95 130.38 35.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -125.08 142.97 51.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.827 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -53.07 -25.37 12.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -80.34 -35.0 36.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.98 -9.9 52.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.527 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.3 mt -63.33 -58.47 15.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 0.0 111.107 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.8 Cg_endo -69.67 -33.13 17.57 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.676 2.251 . . . . 0.0 112.379 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -68.25 -42.35 79.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.7 mt -73.56 -47.03 43.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 t -49.63 -40.3 38.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -62.66 -34.41 77.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.65 -52.15 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.4 m -73.09 0.34 11.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.4 mtt85 53.48 47.04 24.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.6 mt -123.19 179.2 4.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 49' ' ' GLN . 5.1 m -91.6 145.1 24.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -41.34 -34.96 0.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.15 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -73.85 -35.14 64.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 46' ' ' SER . 13.9 mm100 -57.6 -52.13 66.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 84.3 t -60.07 -42.37 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.4 mt -57.31 -42.95 82.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -74.0 -33.87 63.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.487 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 3.1 t90 -57.38 -58.7 7.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.629 ' HE1' HD22 ' A' ' 21' ' ' LEU . 49.4 m-85 -64.51 -50.85 65.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -48.09 -43.15 30.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.6 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.805 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.803 0.251 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -106.41 113.5 27.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.451 ' CG2' ' NE1' ' A' ' 53' ' ' TRP . 4.4 mm -91.71 -11.75 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.581 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 9.7 mt-30 -53.94 -45.72 98.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.597 0.713 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.7 Cg_exo -47.9 -45.83 23.53 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.731 2.287 . . . . 0.0 112.308 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.486 HD22 ' HE1' ' A' ' 54' ' ' PHE . 3.5 mt -80.07 -36.26 35.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -55.69 -50.71 69.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -64.58 -54.24 35.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -47.89 -39.93 20.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.492 ' CE2' ' HG3' ' A' ' 29' ' ' GLN . 74.1 t-105 -63.78 -58.45 6.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.26 -10.13 56.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.74 -48.9 7.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -123.85 -35.06 2.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.807 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.492 ' HG3' ' CE2' ' A' ' 25' ' ' TRP . 10.0 tt0 66.05 42.43 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -159.68 119.57 2.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.479 HD21 HG12 ' A' ' 36' ' ' ILE . 50.8 tp -82.17 142.27 32.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -125.83 131.31 52.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.576 ' HA ' HD12 ' A' ' 36' ' ' ILE . 4.1 mp0 -47.55 -26.1 1.33 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.493 HG23 ' OD1' ' A' ' 35' ' ' ASP . 10.0 t -81.63 -30.37 32.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.493 ' OD1' HG23 ' A' ' 34' ' ' THR . 1.7 m-20 -93.96 -10.06 34.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 33' ' ' GLU . 3.0 mt -59.71 -58.63 17.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.727 . . . . 0.0 111.198 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.6 Cg_endo -69.8 -27.85 25.77 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -73.18 -44.32 60.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 36.2 mt -73.5 -38.01 65.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.5 t -58.92 -37.9 77.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -71.32 -30.39 66.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.88 -41.88 35.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.7 m -77.7 -1.42 31.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 63.67 36.56 10.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.425 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 11.3 mt -125.9 177.24 6.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -91.69 173.4 7.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -36.44 79.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.194 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -72.83 -38.0 67.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.97 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.425 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 29.3 mm-40 -56.49 -48.38 77.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.41 HG13 HD22 ' A' ' 21' ' ' LEU . 70.5 t -65.78 -39.8 85.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.39 -45.55 93.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -70.58 -34.78 72.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.451 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 9.2 t90 -57.27 -59.49 5.04 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.486 ' HE1' HD22 ' A' ' 21' ' ' LEU . 29.7 m-85 -58.62 -51.95 67.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -52.37 -37.45 56.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.757 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.136 0 CA-C-O 120.859 0.274 . . . . 0.0 112.307 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -104.85 103.52 13.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.423 ' CG2' ' NE1' ' A' ' 53' ' ' TRP . 5.9 mm -89.89 -19.94 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.087 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.582 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 20.7 mt-30 -51.18 -45.58 89.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.597 0.713 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.5 Cg_exo -48.05 -46.32 22.54 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.656 2.238 . . . . 0.0 112.33 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.504 HD22 ' HE1' ' A' ' 54' ' ' PHE . 2.3 mt -78.66 -39.18 37.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -53.86 -49.55 68.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -67.3 -53.75 26.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -52.36 -37.39 56.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.43 ' O ' ' CD ' ' A' ' 29' ' ' GLN . 68.8 t-105 -68.09 -54.51 17.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.434 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . . . -69.39 -4.52 18.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.73 -57.69 2.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -100.35 -36.37 9.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.434 ' NE2' ' HA ' ' A' ' 26' ' ' ALA . 10.4 mp0 63.18 47.82 3.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -174.48 120.13 0.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.1 tp -81.81 144.12 31.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.6 mtp85 -129.97 136.52 49.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.429 ' HA ' HD12 ' A' ' 36' ' ' ILE . 7.9 mt-10 -48.38 -27.05 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.3 t -78.63 -36.25 44.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.46 -13.72 42.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.536 HG22 ' N ' ' A' ' 37' ' ' PRO . 2.4 mt -55.28 -58.78 13.36 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.733 0.778 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.536 ' N ' HG22 ' A' ' 36' ' ' ILE . 53.5 Cg_endo -69.77 -34.55 14.32 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.606 2.204 . . . . 0.0 112.341 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -65.68 -43.74 88.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 44.2 mt -73.27 -44.73 58.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.0 t -51.3 -39.83 57.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -61.61 -40.45 94.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.63 -40.5 73.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.0 p -81.1 -7.1 59.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? 57.25 33.09 22.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.444 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 48.6 mt -111.76 177.13 4.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 49' ' ' GLN . 12.2 p -86.21 146.4 26.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.794 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 m -41.54 -35.81 0.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.163 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -74.56 -40.02 61.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.444 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 12.3 mm100 -49.63 -52.33 31.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.405 HG13 HD22 ' A' ' 21' ' ' LEU . 79.9 t -59.45 -41.01 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.9 mt -57.29 -44.4 84.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -70.77 -40.83 72.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.423 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 8.4 t90 -52.53 -56.5 14.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.504 ' HE1' HD22 ' A' ' 21' ' ' LEU . 18.7 m-85 -64.14 -53.46 49.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.819 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -50.15 -40.07 45.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.729 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 N--CA 1.465 -0.178 0 CA-C-O 120.826 0.261 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.42 108.13 19.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.419 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 9.4 mm -89.62 -18.78 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.584 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 27.8 mm-40 -51.16 -45.91 88.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.0 Cg_exo -47.86 -44.42 27.17 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.713 2.275 . . . . 0.0 112.381 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.423 HD22 HG13 ' A' ' 50' ' ' VAL . 3.4 mt -79.9 -39.19 30.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.434 ' HG2' ' CH2' ' A' ' 53' ' ' TRP . 11.5 mt-10 -54.6 -49.54 70.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -68.93 -52.52 28.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.612 ' CD2' HD11 ' A' ' 39' ' ' LEU . 59.3 t80 -50.98 -34.86 30.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 53.8 t-105 -63.88 -54.99 26.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.55 -3.2 39.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.22 -57.95 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -99.83 -31.32 11.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 57.72 40.34 26.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -171.93 118.85 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.963 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.6 tp -92.36 138.13 31.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.441 ' HG3' HG22 ' A' ' 34' ' ' THR . 8.0 ptp180 -127.1 149.01 50.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.419 ' HA ' HD12 ' A' ' 36' ' ' ILE . 25.1 mt-10 -55.18 -23.57 22.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.441 HG22 ' HG3' ' A' ' 32' ' ' ARG . 12.3 t -79.23 -32.76 43.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.499 ' OD2' ' CZ ' ' A' ' 24' ' ' TYR . 3.7 t70 -94.84 -11.5 28.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.814 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.521 HG22 ' N ' ' A' ' 37' ' ' PRO . 2.6 mt -58.21 -58.7 16.95 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.598 0.713 . . . . 0.0 111.14 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.521 ' N ' HG22 ' A' ' 36' ' ' ILE . 54.2 Cg_endo -69.83 -24.19 29.65 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.632 2.221 . . . . 0.0 112.401 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -74.81 -44.62 48.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.612 HD11 ' CD2' ' A' ' 24' ' ' TYR . 31.7 mt -70.34 -48.99 53.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -50.24 -44.98 53.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -59.55 -30.83 68.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.956 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.66 -41.07 19.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.6 m -77.49 -6.41 53.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 62.86 37.5 12.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.0 mt -121.89 174.05 7.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.5 m -85.74 144.99 27.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.4 m -38.46 -37.21 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.9 tp60 -69.79 -48.38 59.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -43.62 -53.01 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.423 HG13 HD22 ' A' ' 21' ' ' LEU . 96.8 t -57.62 -43.66 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.8 mt -56.13 -48.95 75.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -68.17 -40.83 82.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.802 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.434 ' CH2' ' HG2' ' A' ' 22' ' ' GLU . 3.0 t90 -52.67 -57.67 9.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -68.36 -37.45 80.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.22 -43.04 78.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.843 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.147 0 CA-C-O 120.816 0.257 . . . . 0.0 112.329 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.42 ' CG ' ' HA ' ' A' ' 43' ' ' SER . 1.2 p-10 -122.5 113.03 18.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.449 HG21 ' HE1' ' A' ' 53' ' ' TRP . 4.5 mm -90.71 -13.3 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.588 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 8.9 mt-30 -51.13 -45.61 88.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 66.1 Cg_exo -48.0 -47.9 17.83 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.329 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.413 HD22 ' HE1' ' A' ' 54' ' ' PHE . 2.3 mt -77.15 -37.52 53.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -56.42 -48.36 77.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.6 mtm180 -73.81 -51.08 17.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.457 ' CD2' HD11 ' A' ' 39' ' ' LEU . 86.1 t80 -53.15 -40.95 64.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.963 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -55.41 -53.92 50.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.89 -7.92 56.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.65 -54.5 4.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -107.1 -35.95 6.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 63.05 46.78 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -174.05 120.39 0.28 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.553 HD11 HG12 ' A' ' 36' ' ' ILE . 49.2 tp -80.98 133.31 35.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.941 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -124.89 136.84 54.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.432 ' HA ' HD12 ' A' ' 36' ' ' ILE . 7.2 mp0 -48.68 -26.94 2.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 77.5 p -77.33 -37.53 52.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.13 -14.73 40.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.553 HG12 HD11 ' A' ' 31' ' ' LEU . 2.4 mt -54.61 -58.65 13.21 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.607 0.717 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.537 ' N ' HG22 ' A' ' 36' ' ' ILE . 52.8 Cg_endo -69.81 -34.62 14.07 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.727 2.285 . . . . 0.0 112.284 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -65.24 -41.76 94.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.457 HD11 ' CD2' ' A' ' 24' ' ' TYR . 41.9 mt -76.9 -45.43 28.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 t -54.47 -38.86 66.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -67.84 -33.42 74.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.05 -49.18 62.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.42 ' HA ' ' CG ' ' A' ' 17' ' ' ASP . 47.1 t -78.0 -0.72 28.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 57.98 38.86 26.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.7 mt -115.7 173.2 6.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 49' ' ' GLN . 8.6 m -84.24 142.2 30.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -38.15 -34.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -72.27 -44.75 62.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 46' ' ' SER . 13.3 mm100 -47.1 -49.61 21.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.24 -44.85 99.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 mt -52.8 -41.07 63.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -72.82 -40.68 65.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.449 ' HE1' HG21 ' A' ' 18' ' ' ILE . 2.3 t90 -52.37 -57.98 8.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.413 ' HE1' HD22 ' A' ' 21' ' ' LEU . 59.7 m-85 -63.19 -51.35 66.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -47.29 -42.79 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 62.2 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.793 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.136 0 CA-C-O 120.787 0.245 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.446 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.8 OUTLIER -97.74 106.71 19.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.422 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 9.6 mm -89.27 -19.57 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.571 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 9.0 mm-40 -51.09 -45.9 88.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 64.2 Cg_exo -47.97 -46.15 22.82 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.709 2.273 . . . . 0.0 112.365 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.613 HD23 ' HB3' ' A' ' 39' ' ' LEU . 2.4 mt -79.06 -38.52 36.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -54.25 -49.17 70.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -62.68 -57.38 11.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.595 ' CE2' ' OD2' ' A' ' 35' ' ' ASP . 37.3 t80 -51.6 -37.65 50.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 70.5 t-105 -70.91 -51.07 28.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.82 -11.74 60.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.035 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.1 -56.44 2.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -99.04 -43.22 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 72.16 29.58 2.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -149.93 120.42 7.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.44 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 52.9 tp -80.33 135.7 36.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.9 mmm-85 -126.13 131.2 52.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -46.65 -24.26 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 54.4 m -80.82 -34.89 33.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.595 ' OD2' ' CE2' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -88.7 -11.32 45.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.528 HG22 ' N ' ' A' ' 37' ' ' PRO . 2.3 mt -58.67 -58.62 17.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.721 . . . . 0.0 111.098 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.528 ' N ' HG22 ' A' ' 36' ' ' ILE . 53.8 Cg_endo -69.79 -43.5 2.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.638 2.225 . . . . 0.0 112.335 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -59.02 -40.49 85.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.613 ' HB3' HD23 ' A' ' 21' ' ' LEU . 78.1 mt -72.07 -48.03 47.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.7 t -50.08 -47.23 53.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.449 ' O ' ' NH2' ' A' ' 44' ' ' ARG . 68.0 mt-30 -59.83 -41.53 91.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.957 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.93 -34.5 78.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 88.9 p -92.44 3.62 55.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER 58.44 30.24 19.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.456 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 28.1 mt -109.29 177.13 4.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 49' ' ' GLN . 7.0 p -95.36 149.64 21.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -42.48 -35.67 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -76.92 -34.01 57.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.456 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 21.3 mm100 -57.73 -51.19 70.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.46 HG13 HD22 ' A' ' 21' ' ' LEU . 72.8 t -60.98 -38.95 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.34 -41.35 84.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -73.27 -38.35 65.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 9.4 t90 -53.96 -59.33 4.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.44 ' CD2' ' HB2' ' A' ' 31' ' ' LEU . 14.3 m-85 -60.28 -51.75 68.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.815 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -52.48 -40.33 62.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.8 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 -179.746 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo . . . . . 0 N--CA 1.465 -0.18 0 CA-C-O 120.781 0.242 . . . . 0.0 112.402 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -108.85 114.65 28.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.409 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 3.8 mm -90.59 -17.99 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.577 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 13.3 mt-30 -51.76 -45.63 91.91 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.53 0.681 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.1 Cg_exo -48.01 -47.86 17.99 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.734 2.289 . . . . 0.0 112.329 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.642 HD22 ' HE1' ' A' ' 54' ' ' PHE . 3.0 mt -77.81 -37.89 47.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.963 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -54.58 -50.15 68.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -66.8 -52.95 37.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.923 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -50.89 -34.23 27.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.569 ' CE3' ' HA ' ' A' ' 29' ' ' GLN . 58.8 t-105 -75.25 -53.84 8.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.7 -13.98 62.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.04 -54.41 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.063 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -99.04 -37.94 9.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.569 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . 20.2 tt0 62.0 34.97 16.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -163.63 123.19 2.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.953 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 67.8 tp -87.96 141.06 28.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -124.73 143.61 50.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.586 ' HA ' HD12 ' A' ' 36' ' ' ILE . 27.3 mt-10 -56.55 -19.52 16.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.3 t -85.45 -33.88 21.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.055 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -92.1 -6.49 50.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.586 HD12 ' HA ' ' A' ' 33' ' ' GLU . 3.2 mt -63.93 -58.41 14.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.621 0.725 . . . . 0.0 111.158 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 54.4 Cg_endo -69.76 -18.58 36.94 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.238 . . . . 0.0 112.325 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -83.28 -48.7 10.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.3 mt -69.55 -41.88 75.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.5 t -54.41 -39.49 67.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -70.2 -26.46 63.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.59 -46.13 16.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.6 m -74.07 -2.22 23.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 64.48 36.87 8.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.461 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 8.2 mt -123.16 177.84 5.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 p -95.09 156.19 16.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.42 HG23 ' CG2' ' A' ' 36' ' ' ILE . 2.1 m -46.39 -35.1 5.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.153 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -78.11 -35.85 48.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 14.2 mm100 -57.07 -51.82 67.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 43.6 t -60.81 -39.61 82.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.7 mt -58.85 -45.57 89.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -69.57 -30.35 68.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.809 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 17.1 t90 -59.36 -64.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.642 ' HE1' HD22 ' A' ' 21' ' ' LEU . 63.1 m-85 -61.29 -29.51 69.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -55.39 -25.06 33.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.793 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.755 0.231 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.424 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 47.3 t0 -105.77 113.32 26.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.402 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 6.4 mm -90.42 -14.15 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.575 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 5.4 mm100 -51.49 -46.0 90.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.566 0.698 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.6 Cg_exo -47.99 -47.97 17.64 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.62 2.213 . . . . 0.0 112.361 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.479 HD21 HG22 ' A' ' 50' ' ' VAL . 2.3 mt -77.99 -37.44 47.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -54.79 -49.01 71.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -68.2 -54.61 16.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.819 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -52.8 -37.54 59.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 52.3 t-105 -62.35 -55.61 26.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.65 -6.51 44.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.085 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.82 -58.0 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -99.18 -35.03 10.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.81 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 62.07 42.97 9.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -169.77 119.43 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.0 tp -81.94 134.85 35.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -125.85 140.43 52.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -53.86 -22.08 9.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.7 p -83.5 -31.29 26.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.192 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.26 -13.01 33.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.524 HG22 ' N ' ' A' ' 37' ' ' PRO . 2.7 mt -58.4 -58.72 16.96 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.652 0.739 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.524 ' N ' HG22 ' A' ' 36' ' ' ILE . 54.5 Cg_endo -69.7 -25.56 28.76 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -75.16 -39.66 60.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.8 mt -77.7 -48.09 17.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -50.81 -26.01 5.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.464 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 1.7 pt20 -70.57 -46.7 63.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.464 ' N ' ' CG ' ' A' ' 41' ' ' GLN . . . -70.15 -44.59 68.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.07 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 m -73.92 -6.31 46.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.773 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 53.6 37.8 26.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.3 mt -112.19 -179.83 3.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 49' ' ' GLN . 4.2 m -91.91 146.76 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.8 m -42.83 -33.88 0.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.103 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -74.29 -35.81 63.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 46' ' ' SER . 14.2 mm100 -56.44 -52.37 64.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.479 HG22 HD21 ' A' ' 21' ' ' LEU . 75.9 t -61.55 -36.8 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.2 mt -63.53 -42.98 98.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -74.65 -37.99 62.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.401 ' HE1' HG21 ' A' ' 18' ' ' ILE . 2.0 t90 -53.81 -53.2 55.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -74.05 -39.34 63.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -56.83 -40.37 75.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 -179.803 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.798 0.249 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.404 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 1.1 m-20 -103.66 112.41 25.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.432 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 9.6 mm -92.51 -13.65 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.641 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 26.1 mp0 -59.76 -41.2 84.53 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.524 0.678 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.6 Cg_exo -48.02 -43.02 31.4 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.494 HD22 ' HE1' ' A' ' 54' ' ' PHE . 1.4 mt -83.06 -38.51 22.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.976 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -54.01 -46.59 71.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -68.07 -58.08 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.43 ' CE1' ' CE1' ' A' ' 28' ' ' HIS . 83.7 t80 -50.82 -40.28 55.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -56.9 -55.2 37.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.1 -5.05 47.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.12 -58.02 2.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.43 ' CE1' ' CE1' ' A' ' 24' ' ' TYR . 2.9 m80 -103.2 -34.52 8.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 63.43 31.76 14.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -151.23 128.12 10.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.2 tp -89.36 132.8 34.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.424 ' H ' ' CG ' ' A' ' 35' ' ' ASP . 52.9 mtp180 -129.09 130.23 46.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -46.08 -23.91 0.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.3 t -79.01 -37.19 39.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.424 ' CG ' ' H ' ' A' ' 32' ' ' ARG . 10.9 p30 -86.68 -14.03 43.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.536 HG22 ' N ' ' A' ' 37' ' ' PRO . 2.4 mt -55.43 -58.63 14.32 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.558 0.694 . . . . 0.0 111.124 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.536 ' N ' HG22 ' A' ' 36' ' ' ILE . 53.6 Cg_endo -69.77 -40.02 5.8 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.31 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -60.58 -41.68 95.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.423 HD11 ' CD2' ' A' ' 24' ' ' TYR . 43.0 mt -74.79 -44.17 50.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.3 t -54.4 -42.65 70.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -64.3 -28.2 69.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.17 -46.89 17.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.103 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.8 m -73.81 -2.49 23.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 61.19 34.88 18.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.42 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 17.4 mt -118.29 176.35 5.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 49' ' ' GLN . 12.6 p -88.48 146.1 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -40.47 -37.13 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.164 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -73.71 -39.19 64.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 46' ' ' SER . 20.7 mm-40 -51.15 -51.31 54.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.0 t -60.01 -40.51 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.9 mt -57.69 -40.42 79.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -78.55 -35.41 46.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.412 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 27.0 t90 -56.21 -52.75 63.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.494 ' HE1' HD22 ' A' ' 21' ' ' LEU . 12.8 m-85 -65.87 -49.45 68.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -52.11 -35.38 47.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.728 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.827 0.261 . . . . 0.0 112.303 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.423 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -102.8 107.89 18.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.433 HG23 ' NE1' ' A' ' 53' ' ' TRP . 12.3 mm -88.68 -23.03 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.566 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 7.9 mt-30 -51.36 -45.98 89.85 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.643 0.735 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 63.9 Cg_exo -47.87 -42.23 31.35 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.692 2.261 . . . . 0.0 112.368 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.439 HD22 HG13 ' A' ' 50' ' ' VAL . 1.9 mt -83.81 -37.4 22.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.468 ' HG2' ' CZ2' ' A' ' 53' ' ' TRP . 13.8 mt-10 -55.4 -50.73 69.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -61.91 -49.29 76.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -54.63 -40.08 68.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.591 ' CZ3' ' O ' ' A' ' 29' ' ' GLN . 66.8 t-105 -71.29 -53.42 14.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.4 -2.97 9.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.06 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.58 -54.43 3.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -123.88 -15.19 6.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.591 ' O ' ' CZ3' ' A' ' 25' ' ' TRP . 17.1 mt-30 63.65 27.82 14.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -140.95 156.07 46.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.544 HD21 HG12 ' A' ' 36' ' ' ILE . 32.6 tp -120.95 144.7 48.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.8 mtt180 -123.89 130.49 52.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.521 ' HA ' HD12 ' A' ' 36' ' ' ILE . 37.4 mt-10 -47.55 -20.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.0 t -82.95 -35.82 25.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -88.34 -14.31 38.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.544 HG12 HD21 ' A' ' 31' ' ' LEU . 2.9 mt -55.16 -58.27 15.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.5 Cg_endo -69.78 -31.71 19.88 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.727 2.285 . . . . 0.0 112.321 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -67.97 -38.05 82.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.2 mt -78.12 -48.15 16.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -50.92 -25.05 4.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 2.7 pt20 -71.85 -46.53 57.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.468 ' N ' ' CG ' ' A' ' 41' ' ' GLN . . . -72.69 -36.03 67.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.2 p -74.58 -10.88 59.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 62.51 32.65 16.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 16.6 mt -119.87 172.57 7.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 49' ' ' GLN . 7.9 m -86.6 145.06 26.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.1 m -37.38 -34.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.153 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -72.79 -48.82 34.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.457 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 50.9 mm-40 -43.65 -51.03 7.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.439 HG13 HD22 ' A' ' 21' ' ' LEU . 77.9 t -60.18 -44.9 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.168 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.5 mt -53.46 -39.52 64.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -75.93 -37.81 58.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.468 ' CZ2' ' HG2' ' A' ' 22' ' ' GLU . 13.1 t90 -54.13 -52.76 60.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -72.43 -37.89 68.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.23 -39.09 85.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.0 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.749 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.839 0.266 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -120.35 114.87 22.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.435 HG22 ' CZ2' ' A' ' 53' ' ' TRP . 2.8 mm -92.89 -21.95 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.576 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 6.6 mm-40 -51.7 -45.66 91.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.558 0.694 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 64.1 Cg_exo -47.93 -37.99 30.24 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.601 2.201 . . . . 0.0 112.378 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.401 HD22 HG13 ' A' ' 50' ' ' VAL . 2.5 mt -88.38 -35.11 17.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -59.49 -45.9 90.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -64.5 -59.53 4.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -48.89 -31.31 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.507 ' NE1' ' NE2' ' A' ' 29' ' ' GLN . 74.9 t-105 -77.97 -51.89 9.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.49 -18.25 65.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.061 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.1 -54.48 3.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.079 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -94.0 -45.49 7.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.507 ' NE2' ' NE1' ' A' ' 25' ' ' TRP . 9.1 tp60 74.26 34.41 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -166.09 137.09 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.736 HD13 ' CD2' ' A' ' 54' ' ' PHE . 43.6 tp -87.69 144.33 26.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.0 mmm-85 -129.56 132.74 46.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.463 ' HA ' HD12 ' A' ' 36' ' ' ILE . 55.5 mt-10 -49.53 -18.71 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.9 t -85.95 -30.92 22.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.459 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 1.5 m-20 -95.1 -7.41 39.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.528 HG22 ' N ' ' A' ' 37' ' ' PRO . 2.8 mt -63.42 -58.67 14.59 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.655 0.741 . . . . 0.0 111.118 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.528 ' N ' HG22 ' A' ' 36' ' ' ILE . 53.8 Cg_endo -69.81 -34.86 13.57 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.643 2.228 . . . . 0.0 112.349 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -68.46 -45.86 71.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 35' ' ' ASP . 56.1 mt -70.68 -42.42 70.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.6 t -55.05 -37.28 66.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -64.65 -34.08 77.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.12 -40.61 45.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.0 p -74.52 -7.14 52.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.797 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 63.55 28.09 15.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 23.8 mt -114.88 178.0 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.6 m -92.19 150.62 20.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.6 m -39.14 -43.07 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.196 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -65.71 -45.7 81.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.474 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 14.7 mm100 -47.11 -49.72 21.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.401 HG13 HD22 ' A' ' 21' ' ' LEU . 93.8 t -62.64 -45.89 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.1 mt -54.04 -35.12 61.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -78.17 -37.26 46.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.435 ' CZ2' HG22 ' A' ' 18' ' ' ILE . 25.2 t90 -56.82 -59.41 5.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.736 ' CD2' HD13 ' A' ' 31' ' ' LEU . 55.9 m-85 -60.68 -51.86 67.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -51.07 -29.3 12.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.9 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.796 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.23 0.123 0 CA-C-O 120.806 0.252 . . . . 0.0 112.301 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -103.74 112.29 25.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.1 mm -90.39 -14.78 8.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.571 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 8.8 mt-30 -56.49 -45.59 99.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.606 0.717 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.5 Cg_exo -48.04 -44.16 28.65 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.721 2.281 . . . . 0.0 112.345 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.517 HD22 HG13 ' A' ' 50' ' ' VAL . 4.1 mt -79.73 -51.13 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.574 ' HG2' ' CZ2' ' A' ' 53' ' ' TRP . 6.5 mm-40 -50.25 -50.93 48.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -59.8 -47.69 84.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -61.66 -35.75 78.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.419 ' O ' ' CA ' ' A' ' 29' ' ' GLN . 73.1 t-105 -64.14 -51.26 64.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.5 -19.91 60.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.43 -50.83 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -116.5 -42.01 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.419 ' CA ' ' O ' ' A' ' 25' ' ' TRP . 9.6 tt0 69.7 40.31 1.38 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -151.59 120.36 6.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.3 tp -88.5 130.6 35.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.971 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.413 ' H ' ' CG ' ' A' ' 35' ' ' ASP . 49.5 mtp180 -127.04 136.72 52.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.76 ' HA ' HD12 ' A' ' 36' ' ' ILE . 38.5 mt-10 -49.64 -23.56 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.0 t -80.2 -38.38 31.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.413 ' CG ' ' H ' ' A' ' 32' ' ' ARG . 10.3 p30 -88.42 -7.89 55.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.805 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.76 HD12 ' HA ' ' A' ' 33' ' ' GLU . 3.3 mt -63.27 -58.55 15.35 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.604 0.716 . . . . 0.0 111.105 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.2 Cg_endo -69.81 -30.57 21.82 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.626 2.217 . . . . 0.0 112.329 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -69.59 -42.09 74.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 42.5 mt -75.31 -43.45 50.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 t -55.16 -38.03 67.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -66.37 -27.71 68.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.73 -46.61 12.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.0 m -71.48 -0.92 11.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 60.64 35.68 19.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.415 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 18.1 mt -119.3 -179.57 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 p -96.44 155.69 16.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 m -48.05 -28.8 3.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -81.74 -43.74 17.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.415 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 28.4 mm-40 -47.79 -54.72 11.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.517 HG13 HD22 ' A' ' 21' ' ' LEU . 73.3 t -58.36 -39.98 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.5 mt -58.84 -39.89 82.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -78.56 -30.62 46.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.855 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.574 ' CZ2' ' HG2' ' A' ' 22' ' ' GLU . 25.0 t90 -60.7 -51.5 69.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.472 ' HE1' HD22 ' A' ' 21' ' ' LEU . 13.4 m-85 -67.39 -42.24 83.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -44.53 -45.93 9.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.79 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.205 0 CA-C-O 120.809 0.254 . . . . 0.0 112.38 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.65 112.56 25.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.814 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.518 HG22 ' CZ2' ' A' ' 53' ' ' TRP . 3.4 mm -92.4 -18.87 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.572 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 7.2 mm-40 -50.36 -45.9 83.86 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.683 0.754 . . . . 0.0 110.933 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.5 Cg_exo -48.07 -45.57 24.92 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.642 2.228 . . . . 0.0 112.37 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.429 HD22 HG13 ' A' ' 50' ' ' VAL . 2.3 mt -81.68 -36.73 28.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -55.02 -47.04 75.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.807 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -67.26 -59.4 3.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -45.46 -34.54 3.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.479 ' CE2' ' HG3' ' A' ' 29' ' ' GLN . 71.1 t-105 -64.68 -56.78 11.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.96 -19.34 64.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.071 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.9 -56.49 4.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.088 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -117.77 -34.23 4.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.479 ' HG3' ' CE2' ' A' ' 25' ' ' TRP . 6.4 tt0 65.66 46.63 2.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.96 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -162.84 121.35 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.973 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.535 HD13 ' CE1' ' A' ' 54' ' ' PHE . 51.9 tp -83.44 137.74 33.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -123.21 132.94 54.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -46.46 -25.9 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.6 m -80.94 -33.32 34.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.111 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -90.01 -10.71 43.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.582 ' CG2' HG23 ' A' ' 47' ' ' THR . 2.4 mt -60.03 -58.74 17.2 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.674 0.749 . . . . 0.0 111.168 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.527 ' N ' HG22 ' A' ' 36' ' ' ILE . 53.4 Cg_endo -69.77 -29.97 22.97 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -73.0 -43.25 62.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.0 mt -75.74 -45.62 35.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.1 t -53.76 -37.35 63.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -65.99 -37.07 85.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.26 -41.69 56.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.512 ' HB2' HD12 ' A' ' 45' ' ' LEU . 1.4 m -71.96 -5.84 37.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 64.06 32.18 13.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.512 HD12 ' HB2' ' A' ' 43' ' ' SER . 4.4 mt -120.87 173.42 7.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.3 m -83.26 154.64 24.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.582 HG23 ' CG2' ' A' ' 36' ' ' ILE . 85.4 m -48.88 -31.46 7.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.184 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -79.59 -40.63 28.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -48.68 -49.93 35.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.429 HG13 HD22 ' A' ' 21' ' ' LEU . 57.1 t -61.27 -43.44 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.0 mt -55.61 -41.5 73.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -76.7 -30.72 56.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.518 ' CZ2' HG22 ' A' ' 18' ' ' ILE . 28.7 t90 -60.76 -55.69 30.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.535 ' CE1' HD13 ' A' ' 31' ' ' LEU . 42.3 m-85 -60.04 -57.33 13.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -46.13 -36.57 6.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 -179.708 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.766 0.236 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -119.26 117.88 29.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.414 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 2.3 mm -93.61 -19.33 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.591 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 9.4 mt-30 -53.24 -45.16 98.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.539 0.685 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 63.7 Cg_exo -48.01 -41.64 32.94 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.612 2.208 . . . . 0.0 112.434 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.572 HD22 ' HE1' ' A' ' 54' ' ' PHE . 3.0 mt -85.67 -52.48 5.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 53' ' ' TRP . 6.2 mm-40 -48.94 -41.15 32.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -68.1 -46.82 69.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -61.43 -36.97 81.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.452 ' CE2' ' HG3' ' A' ' 29' ' ' GLN . 76.6 t-105 -67.82 -48.57 65.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.002 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.76 -17.25 64.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.72 -56.8 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -102.02 -41.22 6.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.452 ' HG3' ' CE2' ' A' ' 25' ' ' TRP . 8.3 tt0 72.06 42.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -169.89 135.24 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.456 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 59.2 tp -91.34 155.66 18.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -143.19 136.2 27.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.432 ' HA ' HD12 ' A' ' 36' ' ' ILE . 38.9 mt-10 -46.87 -28.59 1.63 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 t -77.72 -36.09 51.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.199 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.8 -10.27 48.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.538 HD11 HD21 ' A' ' 51' ' ' LEU . 2.5 mt -59.2 -58.23 21.08 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.606 0.717 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.1 Cg_endo -69.88 -31.0 20.83 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.673 2.249 . . . . 0.0 112.332 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -69.06 -37.6 78.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.6 mt -79.13 -46.17 18.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -52.27 -23.38 5.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.47 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 2.6 pt20 -74.17 -46.8 39.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.47 ' N ' ' CG ' ' A' ' 41' ' ' GLN . . . -72.71 -38.12 67.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.0 p -71.99 -14.77 61.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 66.21 30.84 9.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.431 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 15.7 mt -120.68 175.44 6.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -84.3 173.69 10.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.41 -37.46 85.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.2 tp60 -73.54 -36.67 65.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.431 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 14.0 mm100 -54.81 -50.21 69.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.89 -45.36 99.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.538 HD21 HD11 ' A' ' 36' ' ' ILE . 17.2 mt -57.68 -31.1 66.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -81.05 -34.08 33.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.824 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.563 ' CZ2' ' HG2' ' A' ' 22' ' ' GLU . 26.8 t90 -60.55 -58.26 9.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.572 ' HE1' HD22 ' A' ' 21' ' ' LEU . 14.3 m-85 -58.19 -43.18 87.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -46.54 -40.74 13.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.814 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -179.726 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.83 0.262 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 43' ' ' SER . 33.3 t0 -107.21 116.95 32.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.545 ' CG2' ' NE1' ' A' ' 53' ' ' TRP . 5.0 mm -92.87 -11.44 9.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.569 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 5.1 mm-40 -54.05 -45.57 98.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.583 0.706 . . . . 0.0 110.942 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 64.3 Cg_exo -47.99 -40.66 33.31 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.718 2.279 . . . . 0.0 112.379 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.435 HD22 ' HE1' ' A' ' 54' ' ' PHE . 3.2 mt -85.82 -33.77 21.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -58.97 -46.61 87.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -66.14 -59.25 3.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -48.76 -33.47 10.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -75.92 -49.96 16.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.24 -18.52 64.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.82 -54.08 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -93.21 -46.5 7.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 72.9 27.07 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -150.41 151.3 32.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.665 HD13 ' CD1' ' A' ' 54' ' ' PHE . 33.9 tp -109.69 146.77 34.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.404 ' H ' ' CG ' ' A' ' 35' ' ' ASP . 30.2 mtt180 -138.52 131.75 30.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.594 ' HA ' HD12 ' A' ' 36' ' ' ILE . 7.0 mm-40 -45.97 -25.04 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.6 m -78.53 -37.35 43.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.404 ' CG ' ' H ' ' A' ' 32' ' ' ARG . 15.1 p30 -87.11 -11.69 49.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 33' ' ' GLU . 2.9 mt -59.07 -58.68 17.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.639 0.733 . . . . 0.0 111.153 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.53 ' N ' HG22 ' A' ' 36' ' ' ILE . 54.5 Cg_endo -69.78 -37.76 8.68 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.696 2.264 . . . . 0.0 112.409 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -63.77 -44.39 93.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.3 mt -71.71 -45.18 62.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 t -51.13 -39.15 55.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -67.74 -30.29 69.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.86 -42.61 57.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.499 ' OG ' HD12 ' A' ' 45' ' ' LEU . 87.9 p -82.81 0.25 44.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.89 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? 60.89 32.83 20.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.499 HD12 ' OG ' ' A' ' 43' ' ' SER . 16.6 mt -111.72 -177.42 3.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.4 p -95.45 160.73 14.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.9 m -52.6 -30.02 28.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -80.78 -42.11 22.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.425 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 7.8 mm-40 -48.75 -54.53 14.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.4 t -58.91 -40.61 80.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 mt -57.54 -41.51 81.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -73.53 -30.9 63.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.545 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 3.5 t90 -62.09 -53.61 53.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.665 ' CD1' HD13 ' A' ' 31' ' ' LEU . 41.5 m-85 -67.39 -42.97 82.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -62.34 -36.98 83.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.1 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.757 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.74 0.225 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -103.08 114.72 29.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.422 HG21 ' HE1' ' A' ' 53' ' ' TRP . 5.4 mm -92.82 -9.18 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.58 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 14.3 mt-30 -55.37 -45.61 99.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.602 0.715 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.3 Cg_exo -47.97 -42.72 31.48 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.389 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.571 HD22 ' HE1' ' A' ' 54' ' ' PHE . 4.0 mt -82.9 -35.64 25.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -57.27 -48.54 78.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.5 mmt-85 -68.96 -55.54 10.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.43 ' CD1' ' CE1' ' A' ' 28' ' ' HIS . 53.6 t80 -47.65 -33.71 7.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 77.6 t-105 -77.22 -50.12 13.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.89 -18.98 65.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.071 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.54 -54.64 2.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.073 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.43 ' CE1' ' CD1' ' A' ' 24' ' ' TYR . 3.5 m80 -86.52 -47.58 9.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 71.47 38.2 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -172.14 157.08 4.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 32' ' ' ARG . 19.2 tp -113.56 152.62 30.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.405 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 73.8 mtp180 -141.81 138.68 32.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -50.27 -24.97 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.2 p -81.01 -32.7 34.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.165 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.88 -11.15 42.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.552 ' CG2' HG23 ' A' ' 47' ' ' THR . 2.3 mt -59.27 -58.7 17.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.655 0.74 . . . . 0.0 111.156 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.536 ' N ' HG22 ' A' ' 36' ' ' ILE . 53.5 Cg_endo -69.8 -34.91 13.5 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.577 2.185 . . . . 0.0 112.376 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -66.54 -41.11 89.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.6 mt -75.88 -46.4 30.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 t -53.36 -35.96 60.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -69.19 -30.16 68.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.964 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.19 -52.57 10.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.551 ' OG ' HD12 ' A' ' 45' ' ' LEU . 85.7 p -71.78 0.84 7.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 59.83 26.7 15.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.551 HD12 ' OG ' ' A' ' 43' ' ' SER . 16.8 mt -105.78 176.28 5.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.5 p -85.25 153.48 22.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.552 HG23 ' CG2' ' A' ' 36' ' ' ILE . 42.6 m -51.42 -26.26 7.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.0 tp60 -82.63 -36.99 25.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.969 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -53.45 -53.76 46.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 72.1 t -57.48 -38.2 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.4 HD21 HD11 ' A' ' 36' ' ' ILE . 10.6 mt -58.74 -42.01 87.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -74.03 -31.45 62.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.422 ' HE1' HG21 ' A' ' 18' ' ' ILE . 3.1 t90 -59.21 -60.59 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.571 ' HE1' HD22 ' A' ' 21' ' ' LEU . 36.6 m-85 -62.78 -47.7 82.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -52.14 -40.85 61.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.8 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.807 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.761 0.234 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -105.9 105.93 16.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.427 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 5.6 mm -88.95 -20.45 7.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.579 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 25.5 mt-30 -49.45 -46.29 78.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.631 0.729 . . . . 0.0 110.94 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.5 Cg_exo -48.0 -46.14 22.94 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.519 HD22 HG13 ' A' ' 50' ' ' VAL . 2.7 mt -78.89 -38.81 36.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.454 ' HG2' ' CH2' ' A' ' 53' ' ' TRP . 14.1 mt-10 -54.05 -49.27 69.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -70.86 -48.01 56.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.426 ' CZ ' ' OD2' ' A' ' 35' ' ' ASP . 46.2 t80 -55.96 -37.05 68.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -62.65 -58.2 8.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.933 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.68 -4.6 35.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.94 -56.61 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -104.54 -31.95 9.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 60.85 44.28 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -171.71 119.8 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.499 HD21 HG12 ' A' ' 36' ' ' ILE . 58.2 tp -90.06 129.91 36.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.93 138.09 51.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.523 ' HA ' HD12 ' A' ' 36' ' ' ILE . 18.0 tt0 -51.4 -25.51 6.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.0 t -80.97 -30.28 35.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.071 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.493 ' OD2' ' CD1' ' A' ' 39' ' ' LEU . 2.5 t70 -94.89 -14.79 24.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' A' ' 33' ' ' GLU . 3.0 mt -54.94 -58.72 13.23 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.669 0.747 . . . . 0.0 111.177 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.523 ' N ' HG22 ' A' ' 36' ' ' ILE . 54.7 Cg_endo -69.69 -23.17 31.4 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.752 2.302 . . . . 0.0 112.389 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -75.82 -41.93 51.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.493 ' CD1' ' OD2' ' A' ' 35' ' ' ASP . 38.0 mt -76.15 -44.6 37.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 t -54.24 -41.02 68.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -61.83 -32.83 73.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.1 -36.25 30.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.053 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.0 m -78.71 -4.08 47.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 63.61 28.93 15.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.449 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 18.9 mt -116.84 171.23 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 p -84.82 156.0 21.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.409 HG23 ' CG2' ' A' ' 36' ' ' ILE . 5.4 m -52.57 -22.86 5.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.167 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -85.39 -32.3 22.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.449 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 38.3 mm-40 -60.25 -52.02 67.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.519 HG13 HD22 ' A' ' 21' ' ' LEU . 70.5 t -59.84 -38.27 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.8 mt -60.05 -40.27 88.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -77.59 -35.31 53.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.454 ' CH2' ' HG2' ' A' ' 22' ' ' GLU . 6.6 t90 -55.52 -52.66 62.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -66.83 -50.2 63.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -49.88 -41.96 46.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.5 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.832 -179.771 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.745 0.227 . . . . 0.0 112.404 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 43' ' ' SER . 42.6 t0 -117.29 114.98 24.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mm -90.79 -13.18 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.578 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 20.9 mt-30 -53.71 -45.72 98.64 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 0.0 110.928 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 66.2 Cg_exo -48.02 -43.87 29.29 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.641 2.227 . . . . 0.0 112.35 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.542 HD22 ' HE1' ' A' ' 54' ' ' PHE . 3.2 mt -81.65 -36.94 28.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -56.06 -48.57 75.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.9 mmm-85 -69.61 -51.44 35.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.516 ' CG ' HD11 ' A' ' 39' ' ' LEU . 47.0 t80 -51.81 -34.99 42.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -71.21 -51.36 25.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.95 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.12 -19.07 64.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.49 -57.88 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.037 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -92.36 -45.95 7.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 69.16 39.22 1.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -171.3 121.07 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.455 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 39.4 tp -77.63 144.58 37.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -140.86 131.64 25.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.876 ' HA ' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -43.12 -27.37 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.0 m -74.97 -44.1 50.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.33 -6.72 54.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.876 HD12 ' HA ' ' A' ' 33' ' ' GLU . 4.0 mt -62.87 -58.11 18.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.58 0.705 . . . . 0.0 111.123 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.5 Cg_endo -69.7 -38.93 7.25 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.664 2.243 . . . . 0.0 112.334 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -59.52 -41.63 90.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.516 HD11 ' CG ' ' A' ' 24' ' ' TYR . 51.0 mt -74.42 -38.88 62.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.8 t -56.11 -37.07 68.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -67.68 -34.3 76.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.27 -50.57 45.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 38.4 t -76.58 1.19 17.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 58.79 38.26 24.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 35.7 mt -116.62 173.47 6.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 49' ' ' GLN . 3.5 p -86.99 149.61 24.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 m -43.89 -33.54 1.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.157 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -76.55 -35.43 58.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.469 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 24.5 mm100 -55.38 -51.14 67.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.2 -39.68 83.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.4 mt -58.14 -39.41 78.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -76.65 -30.99 57.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -61.77 -55.09 33.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.542 ' HE1' HD22 ' A' ' 21' ' ' LEU . 22.9 m-85 -63.78 -48.81 75.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -49.54 -38.83 32.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.8 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.764 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.212 0 CA-C-O 120.837 0.265 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.418 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 3.3 m-20 -115.43 110.47 19.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.431 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 3.9 mm -88.56 -22.15 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.57 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 3.9 mt-30 -50.83 -45.7 86.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.64 0.734 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.2 Cg_exo -47.99 -44.69 27.12 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.757 2.305 . . . . 0.0 112.332 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.528 HD23 ' HB3' ' A' ' 39' ' ' LEU . 2.1 mt -82.26 -35.5 28.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -57.31 -49.5 75.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.815 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -65.44 -56.68 11.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -49.27 -35.05 16.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.465 ' CE3' ' CD2' ' A' ' 54' ' ' PHE . 75.3 t-105 -72.85 -50.92 21.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.85 -14.14 62.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.092 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.2 -57.95 2.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -92.6 -39.05 11.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.413 ' OE1' ' CD1' ' A' ' 25' ' ' TRP . 0.9 OUTLIER 63.21 43.41 6.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -174.56 130.66 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.411 ' CD2' HD23 ' A' ' 51' ' ' LEU . 53.0 tp -85.24 152.89 22.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -142.58 137.15 29.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.507 ' HA ' HD12 ' A' ' 36' ' ' ILE . 22.1 tt0 -50.62 -23.42 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.1 t -82.62 -32.55 28.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.76 -13.86 33.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.529 HG22 ' N ' ' A' ' 37' ' ' PRO . 2.9 mt -55.41 -58.67 14.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.677 0.751 . . . . 0.0 111.127 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.529 ' N ' HG22 ' A' ' 36' ' ' ILE . 53.0 Cg_endo -69.8 -26.11 27.73 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.628 2.219 . . . . 0.0 112.342 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -74.23 -39.53 63.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.528 ' HB3' HD23 ' A' ' 21' ' ' LEU . 54.0 mt -77.42 -50.06 13.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.39 -22.26 4.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.506 ' C ' ' CD ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -72.89 -44.43 61.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.441 ' N ' ' CG ' ' A' ' 41' ' ' GLN . . . -75.59 -37.22 60.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.101 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.0 p -75.42 -12.16 60.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.84 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 56.8 33.28 22.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.1 mt -111.79 -176.17 2.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.404 ' C ' ' N ' ' A' ' 48' ' ' GLN . 80.8 p -88.32 142.7 27.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.8 m -44.31 -22.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.063 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.404 ' N ' ' C ' ' A' ' 46' ' ' SER . 33.9 tp60 -85.51 -45.76 11.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -46.34 -55.14 7.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.52 HG13 HD22 ' A' ' 21' ' ' LEU . 74.6 t -55.43 -42.53 67.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.461 HD21 HD11 ' A' ' 36' ' ' ILE . 12.4 mt -57.07 -38.68 73.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -79.17 -34.4 43.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 20.7 t90 -56.58 -50.36 72.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.516 ' HE1' HD22 ' A' ' 21' ' ' LEU . 14.7 m-85 -66.3 -43.28 86.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -56.22 -41.01 74.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.807 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.816 0.257 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -105.51 114.45 28.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.449 ' CG2' ' NE1' ' A' ' 53' ' ' TRP . 4.3 mm -91.12 -10.99 9.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.154 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.576 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 3.1 mt-30 -52.95 -45.7 97.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.662 0.744 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 66.0 Cg_exo -48.07 -44.85 27.05 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.425 HD22 ' HE1' ' A' ' 54' ' ' PHE . 3.1 mt -81.4 -35.73 30.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -56.37 -48.39 76.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -68.13 -55.76 11.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -48.4 -32.64 7.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -73.69 -50.68 19.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.51 -7.66 48.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.09 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.87 -57.02 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -93.44 -40.27 10.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 68.26 40.64 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -170.11 166.15 9.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.957 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.7 tp -118.78 145.92 45.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -137.76 132.77 33.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -48.73 -21.31 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.3 p -82.08 -35.35 28.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -89.22 -9.25 51.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.537 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.7 mt -60.98 -57.94 22.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.578 0.704 . . . . 0.0 111.169 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 52.8 Cg_endo -69.79 -34.64 14.08 Favored 'Trans proline' 0 C--O 1.23 0.111 0 C-N-CA 122.75 2.3 . . . . 0.0 112.254 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -68.12 -44.77 75.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 42' ' ' ALA . 59.6 mt -70.14 -50.0 44.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.2 t -45.44 -38.8 6.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -68.27 -31.81 71.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 39' ' ' LEU . . . -74.85 -40.29 61.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.475 ' HB2' HD12 ' A' ' 45' ' ' LEU . 1.3 m -83.76 -5.1 59.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 60.8 35.35 19.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.475 HD12 ' HB2' ' A' ' 43' ' ' SER . 10.0 mt -115.64 -177.91 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 p -92.26 151.21 20.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 m -45.07 -34.68 2.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.194 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -76.28 -38.94 55.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.412 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 26.1 mm100 -51.28 -53.48 35.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.403 HG13 HD22 ' A' ' 21' ' ' LEU . 79.3 t -58.82 -44.36 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.0 mt -53.84 -43.06 69.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -71.38 -33.55 69.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.449 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 2.5 t90 -57.92 -59.43 5.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.425 ' HE1' HD22 ' A' ' 21' ' ' LEU . 71.9 m-85 -63.21 -37.19 86.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.833 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -60.67 -31.74 70.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.756 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.6 p -164.78 160.18 19.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.933 0.396 . . . . 0.0 110.782 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 m -138.96 173.48 11.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.17 141.45 11.29 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 t -171.83 143.13 1.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.835 0.35 . . . . 0.0 110.856 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 7' ' ' GLY . 19.3 t -153.88 153.8 32.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 33.9 -96.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.42 ' N ' ' O ' ' A' ' 6' ' ' SER . 54.3 Cg_endo -69.72 108.3 2.04 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.689 2.259 . . . . 0.0 112.425 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 mp -72.61 143.68 85.24 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.58 0.705 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.1 19.7 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.739 2.293 . . . . 0.0 112.368 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.3 pt -45.58 152.54 0.68 Allowed Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.667 0.746 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 148.54 65.25 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.692 2.261 . . . . 0.0 112.38 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 152.95 69.81 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 167.62 23.85 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.706 2.271 . . . . 0.0 112.379 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 149.48 67.49 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.722 2.282 . . . . 0.0 112.345 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 168.69 20.83 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.707 2.271 . . . . 0.0 112.365 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -111.43 115.64 29.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.487 ' CG2' ' NE1' ' A' ' 53' ' ' TRP . 4.2 mm -90.93 -11.75 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.58 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 14.3 mt-30 -51.66 -45.68 91.38 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.609 0.719 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.4 Cg_exo -47.91 -48.8 15.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.736 2.291 . . . . 0.0 112.374 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.629 HD22 ' HE1' ' A' ' 54' ' ' PHE . 2.9 mt -78.16 -34.91 49.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -57.25 -48.99 77.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -69.47 -51.05 39.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -54.59 -41.08 69.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.539 ' CE2' ' OE1' ' A' ' 29' ' ' GLN . 53.5 t-105 -57.7 -61.45 2.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.3 -22.24 66.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.16 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.13 -57.16 5.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.053 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -112.5 -39.96 4.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.539 ' OE1' ' CE2' ' A' ' 25' ' ' TRP . 1.1 tp-100 70.77 35.11 1.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -146.57 119.24 8.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.473 HD11 HG12 ' A' ' 36' ' ' ILE . 48.8 tp -88.95 130.38 35.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -125.08 142.97 51.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.827 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -53.07 -25.37 12.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -80.34 -35.0 36.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.98 -9.9 52.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.527 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.3 mt -63.33 -58.47 15.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 0.0 111.107 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.8 Cg_endo -69.67 -33.13 17.57 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.676 2.251 . . . . 0.0 112.379 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -68.25 -42.35 79.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.7 mt -73.56 -47.03 43.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 t -49.63 -40.3 38.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -62.66 -34.41 77.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.65 -52.15 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.4 m -73.09 0.34 11.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.4 mtt85 53.48 47.04 24.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.6 mt -123.19 179.2 4.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 49' ' ' GLN . 5.1 m -91.6 145.1 24.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -41.34 -34.96 0.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.15 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -73.85 -35.14 64.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 46' ' ' SER . 13.9 mm100 -57.6 -52.13 66.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 84.3 t -60.07 -42.37 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.4 mt -57.31 -42.95 82.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -74.0 -33.87 63.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.487 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 3.1 t90 -57.38 -58.7 7.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.629 ' HE1' HD22 ' A' ' 21' ' ' LEU . 49.4 m-85 -64.51 -50.85 65.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.658 ' HA ' HD12 ' A' ' 58' ' ' LEU . 12.3 t70 -48.09 -43.15 30.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.6 t -69.28 -34.93 75.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -67.44 -44.42 78.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.658 HD12 ' HA ' ' A' ' 55' ' ' ASP . 18.7 mt -44.94 155.83 0.39 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.654 0.74 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 108.1 2.0 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.735 2.29 . . . . 0.0 112.343 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -79.62 152.37 75.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.577 0.703 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 105.88 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.745 2.297 . . . . 0.0 112.337 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -172.76 168.22 5.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.078 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.438 ' O ' ' CD ' ' A' ' 63' ' ' GLU . 2.6 pp20? -77.87 121.46 24.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.4 t -131.7 148.25 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.186 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.6 p -50.59 -71.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 154.84 83.84 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 129.29 17.31 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.294 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 85.0 p -77.46 118.51 19.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.6 t -116.18 -42.32 3.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -135.52 132.42 37.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 m -91.89 174.78 7.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.66 63.9 2.04 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 m -146.57 171.08 15.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.87 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.7 p -76.04 92.95 3.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.803 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.45 -95.18 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -177.61 1.93 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.704 2.269 . . . . 0.0 112.294 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.565 ' H ' HD12 ' A' ' 9' ' ' LEU . 6.1 mp -56.06 144.24 59.84 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.641 0.734 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 175.46 8.04 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.695 2.264 . . . . 0.0 112.367 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.1 pt -41.96 147.35 0.54 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.609 0.718 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 156.58 62.9 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.621 2.214 . . . . 0.0 112.325 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 159.86 51.79 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.692 2.262 . . . . 0.0 112.364 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 151.03 69.21 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.73 2.287 . . . . 0.0 112.318 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 110.29 2.52 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.726 2.284 . . . . 0.0 112.322 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.84 48.22 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.734 2.289 . . . . 0.0 112.335 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -106.41 113.5 27.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.451 ' CG2' ' NE1' ' A' ' 53' ' ' TRP . 4.4 mm -91.71 -11.75 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.581 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 9.7 mt-30 -53.94 -45.72 98.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.597 0.713 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.7 Cg_exo -47.9 -45.83 23.53 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.731 2.287 . . . . 0.0 112.308 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.486 HD22 ' HE1' ' A' ' 54' ' ' PHE . 3.5 mt -80.07 -36.26 35.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -55.69 -50.71 69.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -64.58 -54.24 35.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -47.89 -39.93 20.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.492 ' CE2' ' HG3' ' A' ' 29' ' ' GLN . 74.1 t-105 -63.78 -58.45 6.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.26 -10.13 56.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.74 -48.9 7.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -123.85 -35.06 2.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.807 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.492 ' HG3' ' CE2' ' A' ' 25' ' ' TRP . 10.0 tt0 66.05 42.43 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -159.68 119.57 2.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.479 HD21 HG12 ' A' ' 36' ' ' ILE . 50.8 tp -82.17 142.27 32.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -125.83 131.31 52.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.576 ' HA ' HD12 ' A' ' 36' ' ' ILE . 4.1 mp0 -47.55 -26.1 1.33 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.493 HG23 ' OD1' ' A' ' 35' ' ' ASP . 10.0 t -81.63 -30.37 32.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.493 ' OD1' HG23 ' A' ' 34' ' ' THR . 1.7 m-20 -93.96 -10.06 34.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 33' ' ' GLU . 3.0 mt -59.71 -58.63 17.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.727 . . . . 0.0 111.198 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.6 Cg_endo -69.8 -27.85 25.77 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -73.18 -44.32 60.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 36.2 mt -73.5 -38.01 65.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.5 t -58.92 -37.9 77.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -71.32 -30.39 66.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.88 -41.88 35.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.7 m -77.7 -1.42 31.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 63.67 36.56 10.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.425 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 11.3 mt -125.9 177.24 6.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -91.69 173.4 7.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -36.44 79.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.194 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -72.83 -38.0 67.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.97 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.425 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 29.3 mm-40 -56.49 -48.38 77.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.41 HG13 HD22 ' A' ' 21' ' ' LEU . 70.5 t -65.78 -39.8 85.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.39 -45.55 93.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -70.58 -34.78 72.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.451 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 9.2 t90 -57.27 -59.49 5.04 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.486 ' HE1' HD22 ' A' ' 21' ' ' LEU . 29.7 m-85 -58.62 -51.95 67.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -52.37 -37.45 56.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.0 t -70.02 -35.93 74.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.416 ' HG3' ' CZ3' ' A' ' 53' ' ' TRP . 13.6 mmm180 -59.68 -41.7 91.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.534 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 38.2 mt -36.51 147.09 0.2 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.567 0.698 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 92.97 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.534 ' NE2' ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -130.26 144.15 52.06 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.589 0.709 . . . . 0.0 110.968 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 107.94 1.98 Allowed 'Trans proline' 0 N--CA 1.466 -0.12 0 C-N-CA 122.752 2.301 . . . . 0.0 112.318 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.46 173.56 11.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -143.11 147.07 34.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.7 m -73.66 153.69 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.6 p -168.69 174.68 6.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.819 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -119.28 72.26 0.32 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 172.17 13.2 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.2 t -157.3 118.28 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.1 p -133.08 155.98 48.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.498 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -99.68 -52.31 3.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.818 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 p -67.63 88.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.27 171.23 27.13 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 m -95.98 -60.99 1.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 110.835 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.6 p -145.24 155.1 43.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.909 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.78 -166.85 28.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 176.75 6.39 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.3 mt -89.93 148.98 40.92 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.612 0.72 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 177.37 5.63 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.75 2.3 . . . . 0.0 112.32 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.3 pt -42.77 150.8 0.42 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.73 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.453 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 53.8 Cg_endo -69.69 110.3 2.51 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.683 2.256 . . . . 0.0 112.366 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.453 ' HD2' ' HA ' ' A' ' 12' ' ' PRO . 53.6 Cg_endo -69.74 157.38 60.62 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 165.54 30.59 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.724 2.282 . . . . 0.0 112.37 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 149.0 66.69 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.642 2.228 . . . . 0.0 112.329 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 169.96 17.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.258 . . . . 0.0 112.307 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -104.85 103.52 13.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.423 ' CG2' ' NE1' ' A' ' 53' ' ' TRP . 5.9 mm -89.89 -19.94 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.087 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.582 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 20.7 mt-30 -51.18 -45.58 89.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.597 0.713 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.5 Cg_exo -48.05 -46.32 22.54 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.656 2.238 . . . . 0.0 112.33 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.504 HD22 ' HE1' ' A' ' 54' ' ' PHE . 2.3 mt -78.66 -39.18 37.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -53.86 -49.55 68.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -67.3 -53.75 26.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -52.36 -37.39 56.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.43 ' O ' ' CD ' ' A' ' 29' ' ' GLN . 68.8 t-105 -68.09 -54.51 17.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.434 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . . . -69.39 -4.52 18.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.73 -57.69 2.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -100.35 -36.37 9.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.434 ' NE2' ' HA ' ' A' ' 26' ' ' ALA . 10.4 mp0 63.18 47.82 3.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -174.48 120.13 0.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.1 tp -81.81 144.12 31.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.6 mtp85 -129.97 136.52 49.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.429 ' HA ' HD12 ' A' ' 36' ' ' ILE . 7.9 mt-10 -48.38 -27.05 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.3 t -78.63 -36.25 44.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.46 -13.72 42.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.536 HG22 ' N ' ' A' ' 37' ' ' PRO . 2.4 mt -55.28 -58.78 13.36 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.733 0.778 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.536 ' N ' HG22 ' A' ' 36' ' ' ILE . 53.5 Cg_endo -69.77 -34.55 14.32 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.606 2.204 . . . . 0.0 112.341 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -65.68 -43.74 88.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 44.2 mt -73.27 -44.73 58.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.0 t -51.3 -39.83 57.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -61.61 -40.45 94.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.63 -40.5 73.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.0 p -81.1 -7.1 59.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? 57.25 33.09 22.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.444 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 48.6 mt -111.76 177.13 4.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 49' ' ' GLN . 12.2 p -86.21 146.4 26.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.794 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 m -41.54 -35.81 0.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.163 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -74.56 -40.02 61.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.444 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 12.3 mm100 -49.63 -52.33 31.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.405 HG13 HD22 ' A' ' 21' ' ' LEU . 79.9 t -59.45 -41.01 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.9 mt -57.29 -44.4 84.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -70.77 -40.83 72.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.423 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 8.4 t90 -52.53 -56.5 14.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.504 ' HE1' HD22 ' A' ' 21' ' ' LEU . 18.7 m-85 -64.14 -53.46 49.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.819 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -50.15 -40.07 45.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.2 t -68.08 -33.1 73.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -68.33 -47.87 66.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.521 HD12 ' C ' ' A' ' 58' ' ' LEU . 1.2 pp -73.12 150.67 90.09 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.566 0.698 . . . . 0.0 110.94 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.418 ' C ' HD12 ' A' ' 58' ' ' LEU . 53.2 Cg_endo -69.77 93.5 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -98.5 139.34 21.08 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.634 0.731 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 90.43 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.718 2.279 . . . . 0.0 112.325 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -164.12 171.39 15.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.069 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -63.13 155.01 29.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.445 ' O ' ' C ' ' A' ' 65' ' ' SER . 95.5 t -132.48 113.32 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 64' ' ' VAL . 30.0 t -34.67 -56.55 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.23 146.33 4.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 -36.69 10.56 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 112.374 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.5 m -155.68 133.18 11.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.5 p -58.41 134.57 56.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.546 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.9 p -169.88 168.81 8.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.911 0.386 . . . . 0.0 110.852 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 p -161.18 176.1 11.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.14 148.64 17.09 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m -116.58 152.58 33.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 0.0 110.849 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.4 p -142.16 107.44 5.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.49 -159.74 27.8 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 89.97 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.638 2.225 . . . . 0.0 112.361 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 mt -38.89 144.46 0.42 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.604 0.716 . . . . 0.0 110.968 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -175.19 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.67 2.246 . . . . 0.0 112.329 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.4 pt -66.98 150.45 97.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.603 0.716 . . . . 0.0 111.168 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.66 40.87 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.617 2.211 . . . . 0.0 112.364 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.66 169.65 18.29 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 0.0 112.387 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 167.29 24.74 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 110.29 2.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.368 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 164.47 34.43 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.338 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.42 108.13 19.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.419 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 9.4 mm -89.62 -18.78 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.584 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 27.8 mm-40 -51.16 -45.91 88.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.0 Cg_exo -47.86 -44.42 27.17 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.713 2.275 . . . . 0.0 112.381 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.423 HD22 HG13 ' A' ' 50' ' ' VAL . 3.4 mt -79.9 -39.19 30.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' HG2' ' CH2' ' A' ' 53' ' ' TRP . 11.5 mt-10 -54.6 -49.54 70.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -68.93 -52.52 28.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.612 ' CD2' HD11 ' A' ' 39' ' ' LEU . 59.3 t80 -50.98 -34.86 30.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 53.8 t-105 -63.88 -54.99 26.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.55 -3.2 39.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.22 -57.95 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -99.83 -31.32 11.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 57.72 40.34 26.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -171.93 118.85 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.963 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.6 tp -92.36 138.13 31.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.441 ' HG3' HG22 ' A' ' 34' ' ' THR . 8.0 ptp180 -127.1 149.01 50.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.419 ' HA ' HD12 ' A' ' 36' ' ' ILE . 25.1 mt-10 -55.18 -23.57 22.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.441 HG22 ' HG3' ' A' ' 32' ' ' ARG . 12.3 t -79.23 -32.76 43.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.499 ' OD2' ' CZ ' ' A' ' 24' ' ' TYR . 3.7 t70 -94.84 -11.5 28.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.814 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.521 HG22 ' N ' ' A' ' 37' ' ' PRO . 2.6 mt -58.21 -58.7 16.95 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.598 0.713 . . . . 0.0 111.14 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.521 ' N ' HG22 ' A' ' 36' ' ' ILE . 54.2 Cg_endo -69.83 -24.19 29.65 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.632 2.221 . . . . 0.0 112.401 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -74.81 -44.62 48.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.612 HD11 ' CD2' ' A' ' 24' ' ' TYR . 31.7 mt -70.34 -48.99 53.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -50.24 -44.98 53.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -59.55 -30.83 68.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.956 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.66 -41.07 19.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.6 m -77.49 -6.41 53.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 62.86 37.5 12.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.0 mt -121.89 174.05 7.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.5 m -85.74 144.99 27.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.4 m -38.46 -37.21 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.9 tp60 -69.79 -48.38 59.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -43.62 -53.01 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.423 HG13 HD22 ' A' ' 21' ' ' LEU . 96.8 t -57.62 -43.66 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.8 mt -56.13 -48.95 75.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -68.17 -40.83 82.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.802 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.434 ' CH2' ' HG2' ' A' ' 22' ' ' GLU . 3.0 t90 -52.67 -57.67 9.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -68.36 -37.45 80.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.22 -43.04 78.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -64.82 -36.11 83.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? -67.34 -47.76 69.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.787 HD12 ' O ' ' A' ' 58' ' ' LEU . 4.3 pp -75.38 140.17 72.24 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.645 0.736 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 175.48 8.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.727 2.285 . . . . 0.0 112.267 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -138.07 150.32 66.78 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.634 0.73 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 163.33 38.6 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.734 2.29 . . . . 0.0 112.404 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -167.0 169.4 12.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.129 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -113.64 41.16 2.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.7 m -103.25 144.86 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.4 m -46.85 121.09 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -51.53 146.68 11.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.462 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 179.73 3.5 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.71 2.273 . . . . 0.0 112.276 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -84.24 80.56 9.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.7 p -77.46 102.31 6.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.808 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.456 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -160.48 128.07 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.387 . . . . 0.0 110.827 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.5 p -131.19 175.63 8.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.11 171.65 35.05 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.457 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -139.32 123.33 17.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 110.842 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 m -86.95 125.35 34.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.34 -159.62 10.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 128.83 16.61 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.747 2.298 . . . . 0.0 112.361 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -40.23 147.29 0.37 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.591 0.71 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -174.35 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.413 ' C ' HD12 ' A' ' 11' ' ' ILE . 2.7 pp -69.59 150.15 96.86 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.653 0.739 . . . . 0.0 111.069 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.477 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 53.9 Cg_endo -69.81 110.38 2.55 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.294 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.477 ' HD2' ' HA ' ' A' ' 12' ' ' PRO . 53.7 Cg_endo -69.84 169.63 18.55 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.602 2.201 . . . . 0.0 112.365 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 168.64 21.1 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.647 2.231 . . . . 0.0 112.278 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.464 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 54.0 Cg_endo -69.76 110.31 2.52 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.373 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' A' ' 15' ' ' PRO . 53.6 Cg_endo -69.72 176.82 6.24 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.734 2.29 . . . . 0.0 112.329 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.42 ' CG ' ' HA ' ' A' ' 43' ' ' SER . 1.2 p-10 -122.5 113.03 18.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.449 HG21 ' HE1' ' A' ' 53' ' ' TRP . 4.5 mm -90.71 -13.3 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.588 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 8.9 mt-30 -51.13 -45.61 88.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 66.1 Cg_exo -48.0 -47.9 17.83 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.329 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.413 HD22 ' HE1' ' A' ' 54' ' ' PHE . 2.3 mt -77.15 -37.52 53.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -56.42 -48.36 77.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.6 mtm180 -73.81 -51.08 17.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.457 ' CD2' HD11 ' A' ' 39' ' ' LEU . 86.1 t80 -53.15 -40.95 64.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.963 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -55.41 -53.92 50.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.89 -7.92 56.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.65 -54.5 4.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -107.1 -35.95 6.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 63.05 46.78 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -174.05 120.39 0.28 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.553 HD11 HG12 ' A' ' 36' ' ' ILE . 49.2 tp -80.98 133.31 35.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.941 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -124.89 136.84 54.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.432 ' HA ' HD12 ' A' ' 36' ' ' ILE . 7.2 mp0 -48.68 -26.94 2.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 77.5 p -77.33 -37.53 52.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.13 -14.73 40.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.553 HG12 HD11 ' A' ' 31' ' ' LEU . 2.4 mt -54.61 -58.65 13.21 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.607 0.717 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.537 ' N ' HG22 ' A' ' 36' ' ' ILE . 52.8 Cg_endo -69.81 -34.62 14.07 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.727 2.285 . . . . 0.0 112.284 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -65.24 -41.76 94.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.457 HD11 ' CD2' ' A' ' 24' ' ' TYR . 41.9 mt -76.9 -45.43 28.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 t -54.47 -38.86 66.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -67.84 -33.42 74.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.05 -49.18 62.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.42 ' HA ' ' CG ' ' A' ' 17' ' ' ASP . 47.1 t -78.0 -0.72 28.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 57.98 38.86 26.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.7 mt -115.7 173.2 6.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 49' ' ' GLN . 8.6 m -84.24 142.2 30.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -38.15 -34.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -72.27 -44.75 62.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 46' ' ' SER . 13.3 mm100 -47.1 -49.61 21.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.24 -44.85 99.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 mt -52.8 -41.07 63.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -72.82 -40.68 65.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.449 ' HE1' HG21 ' A' ' 18' ' ' ILE . 2.3 t90 -52.37 -57.98 8.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.413 ' HE1' HD22 ' A' ' 21' ' ' LEU . 59.7 m-85 -63.19 -51.35 66.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -47.29 -42.79 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 62.2 m -64.18 -36.33 83.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -67.1 -47.07 72.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.5 mt -52.52 154.74 4.28 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.613 0.721 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 88.97 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.312 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -135.36 158.52 74.36 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 113.42 3.38 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.638 2.225 . . . . 0.0 112.337 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -162.23 173.36 14.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.054 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -125.18 96.82 4.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 64' ' ' VAL . 39.1 t 63.42 47.49 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.157 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.8 p -59.41 111.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.66 146.21 19.51 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.88 -175.43 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.646 2.231 . . . . 0.0 112.251 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.9 m -151.44 127.24 10.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.2 t -95.72 95.11 8.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.447 -179.958 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -90.86 148.98 22.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.936 0.398 . . . . 0.0 110.784 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -126.55 -53.62 1.46 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.862 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.95 53.97 0.2 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.467 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 m -114.94 162.4 16.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.954 0.406 . . . . 0.0 110.885 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.5 m -49.01 113.89 0.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.77 84.98 1.18 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.454 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 118.78 5.89 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.741 2.294 . . . . 0.0 112.324 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 pp -49.94 144.53 10.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -179.39 2.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.321 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.412 ' C ' HD12 ' A' ' 11' ' ' ILE . 2.7 pp -71.53 151.19 93.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.671 0.748 . . . . 0.0 111.083 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 118.26 5.58 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.808 2.339 . . . . 0.0 112.32 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.86 168.24 22.24 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.68 2.253 . . . . 0.0 112.326 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 168.72 20.78 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.659 2.239 . . . . 0.0 112.371 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.464 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 53.2 Cg_endo -69.84 110.4 2.56 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.636 2.224 . . . . 0.0 112.334 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' A' ' 15' ' ' PRO . 53.4 Cg_endo -69.78 164.82 33.12 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.639 2.226 . . . . 0.0 112.324 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.446 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.8 OUTLIER -97.74 106.71 19.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.422 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 9.6 mm -89.27 -19.57 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.571 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 9.0 mm-40 -51.09 -45.9 88.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 64.2 Cg_exo -47.97 -46.15 22.82 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.709 2.273 . . . . 0.0 112.365 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.613 HD23 ' HB3' ' A' ' 39' ' ' LEU . 2.4 mt -79.06 -38.52 36.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -54.25 -49.17 70.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -62.68 -57.38 11.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.595 ' CE2' ' OD2' ' A' ' 35' ' ' ASP . 37.3 t80 -51.6 -37.65 50.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 70.5 t-105 -70.91 -51.07 28.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.82 -11.74 60.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.035 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.1 -56.44 2.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -99.04 -43.22 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 72.16 29.58 2.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -149.93 120.42 7.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.44 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 52.9 tp -80.33 135.7 36.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.9 mmm-85 -126.13 131.2 52.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -46.65 -24.26 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 54.4 m -80.82 -34.89 33.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.595 ' OD2' ' CE2' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -88.7 -11.32 45.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.528 HG22 ' N ' ' A' ' 37' ' ' PRO . 2.3 mt -58.67 -58.62 17.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.721 . . . . 0.0 111.098 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.528 ' N ' HG22 ' A' ' 36' ' ' ILE . 53.8 Cg_endo -69.79 -43.5 2.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.638 2.225 . . . . 0.0 112.335 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -59.02 -40.49 85.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.613 ' HB3' HD23 ' A' ' 21' ' ' LEU . 78.1 mt -72.07 -48.03 47.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.7 t -50.08 -47.23 53.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.449 ' O ' ' NH2' ' A' ' 44' ' ' ARG . 68.0 mt-30 -59.83 -41.53 91.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.957 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.93 -34.5 78.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 88.9 p -92.44 3.62 55.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER 58.44 30.24 19.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.456 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 28.1 mt -109.29 177.13 4.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 49' ' ' GLN . 7.0 p -95.36 149.64 21.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -42.48 -35.67 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -76.92 -34.01 57.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.456 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 21.3 mm100 -57.73 -51.19 70.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.46 HG13 HD22 ' A' ' 21' ' ' LEU . 72.8 t -60.98 -38.95 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.34 -41.35 84.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -73.27 -38.35 65.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 9.4 t90 -53.96 -59.33 4.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.44 ' CD2' ' HB2' ' A' ' 31' ' ' LEU . 14.3 m-85 -60.28 -51.75 68.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.815 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -52.48 -40.33 62.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.8 m -66.31 -32.62 74.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -66.5 -42.93 86.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 33.3 mt -48.76 156.0 0.95 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.613 0.721 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 89.51 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.661 2.241 . . . . 0.0 112.284 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -136.98 145.94 52.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.683 0.754 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 136.1 32.21 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.647 2.231 . . . . 0.0 112.361 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -112.95 148.95 33.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.075 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -132.78 106.64 7.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.5 HG12 ' O ' ' A' ' 64' ' ' VAL . 21.4 t 66.05 50.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.5 p -69.25 -45.41 69.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.93 173.54 42.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 117.18 4.93 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.619 2.213 . . . . 0.0 112.336 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.6 t -115.15 163.14 16.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.2 p -48.85 152.52 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.781 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 t -156.94 155.74 31.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.836 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -158.23 163.76 37.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.32 164.32 13.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.428 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 m -106.21 162.09 13.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.843 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 7' ' ' GLY . 33.6 p -91.08 -69.18 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 33.99 -96.36 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' SER . 53.2 Cg_endo -69.8 -177.26 1.8 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.618 2.212 . . . . 0.0 112.345 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.93 85.13 33.87 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.562 0.696 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 179.63 3.59 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.337 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.1 pt -52.17 151.45 6.96 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.67 0.748 . . . . 0.0 111.091 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 147.73 63.29 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.727 2.284 . . . . 0.0 112.325 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 168.93 20.05 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.258 . . . . 0.0 112.318 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 165.81 29.64 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.722 2.281 . . . . 0.0 112.339 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 148.37 65.0 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.694 2.262 . . . . 0.0 112.314 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 165.97 29.11 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.733 2.289 . . . . 0.0 112.402 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.466 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -108.85 114.65 28.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.409 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 3.8 mm -90.59 -17.99 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.577 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 13.3 mt-30 -51.76 -45.63 91.91 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.53 0.681 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.1 Cg_exo -48.01 -47.86 17.99 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.734 2.289 . . . . 0.0 112.329 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.642 HD22 ' HE1' ' A' ' 54' ' ' PHE . 3.0 mt -77.81 -37.89 47.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.963 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -54.58 -50.15 68.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -66.8 -52.95 37.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.923 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -50.89 -34.23 27.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.579 ' CZ2' ' HB3' ' A' ' 57' ' ' ARG . 58.8 t-105 -75.25 -53.84 8.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.7 -13.98 62.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.04 -54.41 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.063 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -99.04 -37.94 9.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.569 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . 20.2 tt0 62.0 34.97 16.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -163.63 123.19 2.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.953 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 67.8 tp -87.96 141.06 28.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -124.73 143.61 50.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.586 ' HA ' HD12 ' A' ' 36' ' ' ILE . 27.3 mt-10 -56.55 -19.52 16.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.3 t -85.45 -33.88 21.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.055 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -92.1 -6.49 50.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.586 HD12 ' HA ' ' A' ' 33' ' ' GLU . 3.2 mt -63.93 -58.41 14.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.621 0.725 . . . . 0.0 111.158 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 54.4 Cg_endo -69.76 -18.58 36.94 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.238 . . . . 0.0 112.325 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -83.28 -48.7 10.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.3 mt -69.55 -41.88 75.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.5 t -54.41 -39.49 67.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -70.2 -26.46 63.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.59 -46.13 16.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.6 m -74.07 -2.22 23.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 64.48 36.87 8.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.461 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 8.2 mt -123.16 177.84 5.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 p -95.09 156.19 16.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.42 HG23 ' CG2' ' A' ' 36' ' ' ILE . 2.1 m -46.39 -35.1 5.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.153 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -78.11 -35.85 48.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 14.2 mm100 -57.07 -51.82 67.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 43.6 t -60.81 -39.61 82.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.7 mt -58.85 -45.57 89.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -69.57 -30.35 68.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.809 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.44 ' O ' ' NH1' ' A' ' 57' ' ' ARG . 17.1 t90 -59.36 -64.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.642 ' HE1' HD22 ' A' ' 21' ' ' LEU . 63.1 m-85 -61.29 -29.51 69.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -55.39 -25.06 33.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.441 ' HB3' ' NH2' ' A' ' 57' ' ' ARG . 2.3 m -87.18 -15.1 39.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.579 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 0.0 OUTLIER -75.31 -35.0 61.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.874 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.92 162.81 25.82 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.613 0.721 . . . . 0.0 110.943 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 108.11 2.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -65.61 145.01 99.08 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.614 0.721 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.81 104.65 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.663 2.242 . . . . 0.0 112.382 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -125.61 32.45 5.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.059 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -149.43 161.45 42.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.49 -37.43 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.463 ' O ' ' C ' ' A' ' 66' ' ' GLY . 66.1 m -108.64 123.63 49.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.796 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 65' ' ' SER . . . -32.85 96.36 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.504 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.433 ' N ' ' O ' ' A' ' 65' ' ' SER . 54.0 Cg_endo -69.78 140.64 43.08 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.629 2.219 . . . . 0.0 112.399 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.9 t -80.14 134.07 36.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 70' ' ' GLY . 8.3 t 48.38 41.77 17.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 69' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -147.22 129.0 15.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.364 . . . . 0.0 110.852 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.3 t -121.23 107.61 12.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.809 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.6 43.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.6 p -73.76 -43.21 59.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.6 p -174.51 123.05 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.99 -160.56 12.53 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.51 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -178.59 2.39 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.725 2.283 . . . . 0.0 112.384 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.782 HD13 ' H ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -37.14 156.5 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.593 0.711 . . . . 0.0 110.88 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 164.22 35.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.2 pt -53.94 144.43 37.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.608 0.718 . . . . 0.0 111.132 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 169.44 18.92 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.737 2.291 . . . . 0.0 112.304 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 169.2 19.38 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.646 2.231 . . . . 0.0 112.371 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 146.66 60.95 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.661 2.241 . . . . 0.0 112.375 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.428 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 54.2 Cg_endo -69.66 110.27 2.49 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.703 2.268 . . . . 0.0 112.391 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 15' ' ' PRO . 54.0 Cg_endo -69.78 163.98 36.25 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.344 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.424 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 47.3 t0 -105.77 113.32 26.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.402 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 6.4 mm -90.42 -14.15 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.575 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 5.4 mm100 -51.49 -46.0 90.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.566 0.698 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.6 Cg_exo -47.99 -47.97 17.64 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.62 2.213 . . . . 0.0 112.361 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.479 HD21 HG22 ' A' ' 50' ' ' VAL . 2.3 mt -77.99 -37.44 47.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -54.79 -49.01 71.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -68.2 -54.61 16.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.819 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -52.8 -37.54 59.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.56 ' CZ2' ' HB3' ' A' ' 57' ' ' ARG . 52.3 t-105 -62.35 -55.61 26.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.65 -6.51 44.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.085 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.82 -58.0 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -99.18 -35.03 10.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.81 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 62.07 42.97 9.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -169.77 119.43 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.0 tp -81.94 134.85 35.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -125.85 140.43 52.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -53.86 -22.08 9.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.7 p -83.5 -31.29 26.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.192 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.26 -13.01 33.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.524 HG22 ' N ' ' A' ' 37' ' ' PRO . 2.7 mt -58.4 -58.72 16.96 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.652 0.739 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.524 ' N ' HG22 ' A' ' 36' ' ' ILE . 54.5 Cg_endo -69.7 -25.56 28.76 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -75.16 -39.66 60.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.8 mt -77.7 -48.09 17.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -50.81 -26.01 5.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.464 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 1.7 pt20 -70.57 -46.7 63.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.464 ' N ' ' CG ' ' A' ' 41' ' ' GLN . . . -70.15 -44.59 68.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.07 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 m -73.92 -6.31 46.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.773 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 53.6 37.8 26.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.3 mt -112.19 -179.83 3.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 49' ' ' GLN . 4.2 m -91.91 146.76 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.8 m -42.83 -33.88 0.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.103 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -74.29 -35.81 63.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 46' ' ' SER . 14.2 mm100 -56.44 -52.37 64.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.479 HG22 HD21 ' A' ' 21' ' ' LEU . 75.9 t -61.55 -36.8 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.2 mt -63.53 -42.98 98.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -74.65 -37.99 62.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.401 ' HE1' HG21 ' A' ' 18' ' ' ILE . 2.0 t90 -53.81 -53.2 55.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -74.05 -39.34 63.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.443 ' HA ' HD12 ' A' ' 58' ' ' LEU . 12.6 m-20 -56.83 -40.37 75.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.6 t -66.93 -37.63 84.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.56 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 4.1 mmp_? -64.71 -45.33 87.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 55' ' ' ASP . 23.3 mt -54.22 151.93 12.31 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.623 0.725 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 84.64 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.702 2.268 . . . . 0.0 112.378 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.409 HE22 ' CB ' ' A' ' 62' ' ' ALA . 1.8 pp0? -137.86 144.17 43.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.625 0.726 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 116.93 4.79 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.754 2.303 . . . . 0.0 112.276 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.409 ' CB ' HE22 ' A' ' 60' ' ' GLN . . . -166.81 130.51 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -97.4 115.59 28.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.9 p -148.08 148.64 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.5 m -49.29 160.28 0.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -108.27 84.69 0.38 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.43 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 159.06 54.78 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.397 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 t -127.34 148.18 50.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.0 m -53.72 122.76 10.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.525 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.242 0 N-CA-C 112.42 -0.272 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 t -106.26 -52.92 2.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 110.888 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -66.07 129.34 39.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.918 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.88 -127.37 3.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.52 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.3 p -122.45 133.88 54.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.933 0.397 . . . . 0.0 110.876 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 m -93.42 -53.49 4.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.821 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.71 -105.32 0.11 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 108.83 2.16 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -83.29 148.3 55.55 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 158.51 56.73 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.744 2.296 . . . . 0.0 112.361 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.8 pt -60.08 149.18 75.67 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.596 0.712 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 146.25 59.67 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 169.78 18.16 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.651 2.234 . . . . 0.0 112.331 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 167.68 23.7 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.652 2.235 . . . . 0.0 112.326 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 110.3 2.53 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.639 2.226 . . . . 0.0 112.334 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 162.37 42.28 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.76 2.307 . . . . 0.0 112.347 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.404 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 1.1 m-20 -103.66 112.41 25.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.432 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 9.6 mm -92.51 -13.65 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.641 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 26.1 mp0 -59.76 -41.2 84.53 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.524 0.678 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.6 Cg_exo -48.02 -43.02 31.4 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.494 HD22 ' HE1' ' A' ' 54' ' ' PHE . 1.4 mt -83.06 -38.51 22.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.976 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -54.01 -46.59 71.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -68.07 -58.08 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.43 ' CE1' ' CE1' ' A' ' 28' ' ' HIS . 83.7 t80 -50.82 -40.28 55.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -56.9 -55.2 37.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.1 -5.05 47.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.12 -58.02 2.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.43 ' CE1' ' CE1' ' A' ' 24' ' ' TYR . 2.9 m80 -103.2 -34.52 8.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 63.43 31.76 14.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -151.23 128.12 10.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.2 tp -89.36 132.8 34.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.424 ' H ' ' CG ' ' A' ' 35' ' ' ASP . 52.9 mtp180 -129.09 130.23 46.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -46.08 -23.91 0.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.3 t -79.01 -37.19 39.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.424 ' CG ' ' H ' ' A' ' 32' ' ' ARG . 10.9 p30 -86.68 -14.03 43.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.536 HG22 ' N ' ' A' ' 37' ' ' PRO . 2.4 mt -55.43 -58.63 14.32 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.558 0.694 . . . . 0.0 111.124 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.536 ' N ' HG22 ' A' ' 36' ' ' ILE . 53.6 Cg_endo -69.77 -40.02 5.8 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.31 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -60.58 -41.68 95.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.423 HD11 ' CD2' ' A' ' 24' ' ' TYR . 43.0 mt -74.79 -44.17 50.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.3 t -54.4 -42.65 70.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -64.3 -28.2 69.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.17 -46.89 17.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.103 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.8 m -73.81 -2.49 23.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 61.19 34.88 18.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.42 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 17.4 mt -118.29 176.35 5.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 49' ' ' GLN . 12.6 p -88.48 146.1 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -40.47 -37.13 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.164 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -73.71 -39.19 64.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 46' ' ' SER . 20.7 mm-40 -51.15 -51.31 54.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.0 t -60.01 -40.51 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.9 mt -57.69 -40.42 79.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -78.55 -35.41 46.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.412 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 27.0 t90 -56.21 -52.75 63.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.494 ' HE1' HD22 ' A' ' 21' ' ' LEU . 12.8 m-85 -65.87 -49.45 68.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -52.11 -35.38 47.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.3 t -71.9 -34.25 68.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -59.89 -39.63 85.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 38.2 mt -39.96 149.22 0.29 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.6 0.714 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 95.78 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.659 2.239 . . . . 0.0 112.347 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.24 148.72 35.81 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.569 0.7 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 92.39 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.64 2.226 . . . . 0.0 112.328 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -166.17 163.71 17.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -117.71 41.33 2.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.811 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.451 HG13 ' N ' ' A' ' 65' ' ' SER . 8.4 p -43.27 -42.54 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.451 ' N ' HG13 ' A' ' 64' ' ' VAL . 94.7 p -148.5 170.59 17.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.69 -95.56 0.69 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 86.6 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.716 2.278 . . . . 0.0 112.289 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.5 p -54.84 -49.5 70.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 t 45.72 42.87 9.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.543 -179.92 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.223 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -172.1 165.68 6.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 p -118.74 145.4 45.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.833 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.0 149.92 5.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.434 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.6 t -152.0 117.11 5.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 110.876 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 m -149.94 150.26 31.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.49 -158.68 28.91 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.543 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 173.47 10.87 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.394 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.713 ' H ' HD12 ' A' ' 9' ' ' LEU . 6.6 mp -40.13 144.37 0.55 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.652 0.739 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 143.17 50.07 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.354 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.518 HD13 ' N ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -66.13 144.95 98.96 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.595 0.712 . . . . 0.0 111.13 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 157.32 60.59 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.701 2.268 . . . . 0.0 112.339 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 153.53 68.94 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.618 2.212 . . . . 0.0 112.337 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 163.72 37.26 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.703 2.269 . . . . 0.0 112.298 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.411 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 53.7 Cg_endo -69.75 114.81 3.82 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.722 2.282 . . . . 0.0 112.273 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 15' ' ' PRO . 53.6 Cg_endo -69.8 161.95 43.99 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.726 2.284 . . . . 0.0 112.303 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.423 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -102.8 107.89 18.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.433 HG23 ' NE1' ' A' ' 53' ' ' TRP . 12.3 mm -88.68 -23.03 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.566 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 7.9 mt-30 -51.36 -45.98 89.85 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.643 0.735 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 63.9 Cg_exo -47.87 -42.23 31.35 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.692 2.261 . . . . 0.0 112.368 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.439 HD22 HG13 ' A' ' 50' ' ' VAL . 1.9 mt -83.81 -37.4 22.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.468 ' HG2' ' CZ2' ' A' ' 53' ' ' TRP . 13.8 mt-10 -55.4 -50.73 69.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -61.91 -49.29 76.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -54.63 -40.08 68.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.591 ' CZ3' ' O ' ' A' ' 29' ' ' GLN . 66.8 t-105 -71.29 -53.42 14.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.4 -2.97 9.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.06 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.58 -54.43 3.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -123.88 -15.19 6.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.591 ' O ' ' CZ3' ' A' ' 25' ' ' TRP . 17.1 mt-30 63.65 27.82 14.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -140.95 156.07 46.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.544 HD21 HG12 ' A' ' 36' ' ' ILE . 32.6 tp -120.95 144.7 48.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.8 mtt180 -123.89 130.49 52.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.521 ' HA ' HD12 ' A' ' 36' ' ' ILE . 37.4 mt-10 -47.55 -20.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.0 t -82.95 -35.82 25.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -88.34 -14.31 38.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.544 HG12 HD21 ' A' ' 31' ' ' LEU . 2.9 mt -55.16 -58.27 15.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.5 Cg_endo -69.78 -31.71 19.88 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.727 2.285 . . . . 0.0 112.321 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -67.97 -38.05 82.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.2 mt -78.12 -48.15 16.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -50.92 -25.05 4.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 2.7 pt20 -71.85 -46.53 57.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.468 ' N ' ' CG ' ' A' ' 41' ' ' GLN . . . -72.69 -36.03 67.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.2 p -74.58 -10.88 59.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 62.51 32.65 16.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 16.6 mt -119.87 172.57 7.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 49' ' ' GLN . 7.9 m -86.6 145.06 26.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.1 m -37.38 -34.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.153 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -72.79 -48.82 34.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.457 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 50.9 mm-40 -43.65 -51.03 7.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.439 HG13 HD22 ' A' ' 21' ' ' LEU . 77.9 t -60.18 -44.9 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.168 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.5 mt -53.46 -39.52 64.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -75.93 -37.81 58.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.468 ' CZ2' ' HG2' ' A' ' 22' ' ' GLU . 13.1 t90 -54.13 -52.76 60.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -72.43 -37.89 68.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.23 -39.09 85.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.0 m -69.58 -36.56 76.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -58.72 -39.96 82.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 50.3 mt -43.16 154.28 0.32 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.623 0.725 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 84.6 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.707 2.272 . . . . 0.0 112.309 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -73.12 150.88 90.18 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.631 0.729 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 121.56 8.27 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.651 2.234 . . . . 0.0 112.401 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -137.27 172.11 13.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -54.61 102.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 62' ' ' ALA . 72.7 t -99.67 146.56 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.044 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 m -61.88 -53.47 55.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.39 152.81 21.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.4 Cg_endo -69.7 0.68 5.25 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 67' ' ' PRO . 20.4 t -37.21 123.21 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -161.57 154.92 21.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.442 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.0 p -120.34 130.98 54.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.943 0.401 . . . . 0.0 110.838 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -170.29 143.82 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.11 -158.99 11.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 t -134.69 80.64 1.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.905 0.384 . . . . 0.0 110.866 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.7 p -172.95 138.9 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.444 ' C ' ' HD3' ' A' ' 10' ' ' PRO . . . 163.12 -161.44 33.95 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.509 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 9' ' ' LEU . 53.6 Cg_endo -69.7 82.17 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.656 2.238 . . . . 0.0 112.388 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.478 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 1.1 tt 34.17 52.29 1.17 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.721 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 9' ' ' LEU . 54.2 Cg_endo -69.8 177.39 5.65 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.673 2.249 . . . . 0.0 112.377 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.593 ' O ' HD12 ' A' ' 11' ' ' ILE . 2.7 pp -67.18 148.79 98.74 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.668 0.746 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 149.11 66.84 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.37 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 150.31 68.2 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 166.87 26.1 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.315 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.463 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 53.6 Cg_endo -69.77 110.33 2.53 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.68 2.253 . . . . 0.0 112.386 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.463 ' HD2' ' HA ' ' A' ' 15' ' ' PRO . 54.2 Cg_endo -69.71 177.71 5.27 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.709 2.273 . . . . 0.0 112.296 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -120.35 114.87 22.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.435 HG22 ' CZ2' ' A' ' 53' ' ' TRP . 2.8 mm -92.89 -21.95 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.576 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 6.6 mm-40 -51.7 -45.66 91.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.558 0.694 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 64.1 Cg_exo -47.93 -37.99 30.24 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.601 2.201 . . . . 0.0 112.378 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.401 HD22 HG13 ' A' ' 50' ' ' VAL . 2.5 mt -88.38 -35.11 17.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -59.49 -45.9 90.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -64.5 -59.53 4.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -48.89 -31.31 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.507 ' NE1' ' NE2' ' A' ' 29' ' ' GLN . 74.9 t-105 -77.97 -51.89 9.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.49 -18.25 65.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.061 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.1 -54.48 3.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.079 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -94.0 -45.49 7.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.507 ' NE2' ' NE1' ' A' ' 25' ' ' TRP . 9.1 tp60 74.26 34.41 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -166.09 137.09 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.736 HD13 ' CD2' ' A' ' 54' ' ' PHE . 43.6 tp -87.69 144.33 26.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.0 mmm-85 -129.56 132.74 46.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.463 ' HA ' HD12 ' A' ' 36' ' ' ILE . 55.5 mt-10 -49.53 -18.71 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.9 t -85.95 -30.92 22.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.459 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 1.5 m-20 -95.1 -7.41 39.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.528 HG22 ' N ' ' A' ' 37' ' ' PRO . 2.8 mt -63.42 -58.67 14.59 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.655 0.741 . . . . 0.0 111.118 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.528 ' N ' HG22 ' A' ' 36' ' ' ILE . 53.8 Cg_endo -69.81 -34.86 13.57 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.643 2.228 . . . . 0.0 112.349 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -68.46 -45.86 71.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 35' ' ' ASP . 56.1 mt -70.68 -42.42 70.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.6 t -55.05 -37.28 66.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -64.65 -34.08 77.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.12 -40.61 45.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.0 p -74.52 -7.14 52.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.797 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 63.55 28.09 15.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 23.8 mt -114.88 178.0 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.6 m -92.19 150.62 20.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.6 m -39.14 -43.07 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.196 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -65.71 -45.7 81.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.474 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 14.7 mm100 -47.11 -49.72 21.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.401 HG13 HD22 ' A' ' 21' ' ' LEU . 93.8 t -62.64 -45.89 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.1 mt -54.04 -35.12 61.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -78.17 -37.26 46.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.435 ' CZ2' HG22 ' A' ' 18' ' ' ILE . 25.2 t90 -56.82 -59.41 5.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.736 ' CD2' HD13 ' A' ' 31' ' ' LEU . 55.9 m-85 -60.68 -51.86 67.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.408 ' HA ' HD12 ' A' ' 58' ' ' LEU . 23.2 t0 -51.07 -29.3 12.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.9 m -80.06 -35.13 37.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -61.07 -33.93 74.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.784 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 55' ' ' ASP . 24.0 mt -45.55 154.75 0.51 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.592 0.71 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 86.42 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.683 2.255 . . . . 0.0 112.308 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -148.65 158.04 40.5 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.526 0.679 . . . . 0.0 110.975 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 127.71 15.03 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.675 2.25 . . . . 0.0 112.423 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.53 122.52 15.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.157 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -98.74 46.79 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.5 p -102.06 143.98 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.3 t -103.61 153.7 20.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.01 81.1 1.54 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.554 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 106.01 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.356 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.8 m -63.68 143.8 57.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.1 p -174.95 124.99 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m -152.07 163.5 39.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 110.933 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -124.72 130.17 51.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.8 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.26 -154.48 42.69 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.443 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 m -119.46 124.87 47.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -151.31 149.83 29.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.74 65.24 0.55 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.44 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 179.61 3.59 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.737 2.291 . . . . 0.0 112.33 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 28.0 mt -52.89 154.06 5.39 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.627 0.727 . . . . 0.0 110.965 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 145.26 57.26 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.732 2.288 . . . . 0.0 112.35 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.783 ' O ' HD12 ' A' ' 11' ' ' ILE . 2.4 pp -96.74 145.74 30.11 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.617 0.722 . . . . 0.0 111.184 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 148.52 65.61 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.668 2.245 . . . . 0.0 112.383 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 147.7 63.23 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.66 2.24 . . . . 0.0 112.356 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 167.63 23.92 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.71 2.273 . . . . 0.0 112.374 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.456 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 53.1 Cg_endo -69.78 110.36 2.54 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.618 2.212 . . . . 0.0 112.329 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.456 ' HD2' ' HA ' ' A' ' 15' ' ' PRO . 53.9 Cg_endo -69.76 160.16 50.72 Favored 'Trans proline' 0 C--O 1.23 0.123 0 C-N-CA 122.715 2.276 . . . . 0.0 112.301 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -103.74 112.29 25.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.1 mm -90.39 -14.78 8.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.571 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 8.8 mt-30 -56.49 -45.59 99.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.606 0.717 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.5 Cg_exo -48.04 -44.16 28.65 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.721 2.281 . . . . 0.0 112.345 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.517 HD22 HG13 ' A' ' 50' ' ' VAL . 4.1 mt -79.73 -51.13 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.574 ' HG2' ' CZ2' ' A' ' 53' ' ' TRP . 6.5 mm-40 -50.25 -50.93 48.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -59.8 -47.69 84.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -61.66 -35.75 78.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.419 ' O ' ' CA ' ' A' ' 29' ' ' GLN . 73.1 t-105 -64.14 -51.26 64.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.5 -19.91 60.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.43 -50.83 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -116.5 -42.01 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.419 ' CA ' ' O ' ' A' ' 25' ' ' TRP . 9.6 tt0 69.7 40.31 1.38 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -151.59 120.36 6.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.3 tp -88.5 130.6 35.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.971 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.413 ' H ' ' CG ' ' A' ' 35' ' ' ASP . 49.5 mtp180 -127.04 136.72 52.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.76 ' HA ' HD12 ' A' ' 36' ' ' ILE . 38.5 mt-10 -49.64 -23.56 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.0 t -80.2 -38.38 31.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.413 ' CG ' ' H ' ' A' ' 32' ' ' ARG . 10.3 p30 -88.42 -7.89 55.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.805 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.76 HD12 ' HA ' ' A' ' 33' ' ' GLU . 3.3 mt -63.27 -58.55 15.35 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.604 0.716 . . . . 0.0 111.105 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.2 Cg_endo -69.81 -30.57 21.82 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.626 2.217 . . . . 0.0 112.329 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -69.59 -42.09 74.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 42.5 mt -75.31 -43.45 50.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 t -55.16 -38.03 67.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -66.37 -27.71 68.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.73 -46.61 12.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.0 m -71.48 -0.92 11.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 60.64 35.68 19.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.415 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 18.1 mt -119.3 -179.57 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 p -96.44 155.69 16.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 m -48.05 -28.8 3.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -81.74 -43.74 17.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.415 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 28.4 mm-40 -47.79 -54.72 11.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.517 HG13 HD22 ' A' ' 21' ' ' LEU . 73.3 t -58.36 -39.98 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.5 mt -58.84 -39.89 82.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -78.56 -30.62 46.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.855 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.574 ' CZ2' ' HG2' ' A' ' 22' ' ' GLU . 25.0 t90 -60.7 -51.5 69.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.472 ' HE1' HD22 ' A' ' 21' ' ' LEU . 13.4 m-85 -67.39 -42.24 83.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -44.53 -45.93 9.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 t -62.22 -39.17 91.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.9 mmp_? -67.74 -46.42 72.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.517 ' C ' HD12 ' A' ' 58' ' ' LEU . 1.2 pp -81.67 150.04 65.47 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.586 0.708 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.418 ' C ' HD12 ' A' ' 58' ' ' LEU . 54.7 Cg_endo -69.77 105.25 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.385 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.415 ' CD ' ' H ' ' A' ' 60' ' ' GLN . 8.6 mp0 -52.28 145.33 19.54 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.571 0.7 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 99.27 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.722 2.281 . . . . 0.0 112.308 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -133.37 155.87 48.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 51.73 44.7 29.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.1 t -96.81 112.84 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.4 m -46.31 169.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.08 -115.25 0.71 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.57 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -13.14 34.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.664 2.243 . . . . 0.0 112.364 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 51.7 p -55.16 174.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.6 t -141.67 125.07 16.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 m -83.95 -48.97 9.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.839 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -166.53 132.78 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.824 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.14 122.18 4.4 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.4 p -169.62 118.67 0.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.914 0.388 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 m -98.6 140.71 32.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.898 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.67 -114.05 4.02 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.438 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.64 159.58 52.97 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.714 2.276 . . . . 0.0 112.348 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 10' ' ' PRO . 4.6 pp -55.38 149.12 29.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.569 0.699 . . . . 0.0 110.966 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 11' ' ' ILE . 53.8 Cg_endo -69.78 174.66 9.2 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.244 . . . . 0.0 112.366 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.483 ' O ' HD12 ' A' ' 11' ' ' ILE . 2.6 pp -34.1 148.02 0.1 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.619 0.723 . . . . 0.0 111.147 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 164.78 33.26 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.35 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.455 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 53.7 Cg_endo -69.74 110.32 2.52 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.374 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.455 ' HD2' ' HA ' ' A' ' 13' ' ' PRO . 53.3 Cg_endo -69.73 162.62 41.35 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.772 2.315 . . . . 0.0 112.311 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 132.53 23.52 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.695 2.263 . . . . 0.0 112.323 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 159.29 53.95 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.672 2.248 . . . . 0.0 112.38 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.65 112.56 25.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.814 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.518 HG22 ' CZ2' ' A' ' 53' ' ' TRP . 3.4 mm -92.4 -18.87 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.572 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 7.2 mm-40 -50.36 -45.9 83.86 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.683 0.754 . . . . 0.0 110.933 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.5 Cg_exo -48.07 -45.57 24.92 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.642 2.228 . . . . 0.0 112.37 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.429 HD22 HG13 ' A' ' 50' ' ' VAL . 2.3 mt -81.68 -36.73 28.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -55.02 -47.04 75.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.807 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -67.26 -59.4 3.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -45.46 -34.54 3.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.479 ' CE2' ' HG3' ' A' ' 29' ' ' GLN . 71.1 t-105 -64.68 -56.78 11.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.96 -19.34 64.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.071 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.9 -56.49 4.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.088 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -117.77 -34.23 4.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.479 ' HG3' ' CE2' ' A' ' 25' ' ' TRP . 6.4 tt0 65.66 46.63 2.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.96 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -162.84 121.35 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.973 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.535 HD13 ' CE1' ' A' ' 54' ' ' PHE . 51.9 tp -83.44 137.74 33.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -123.21 132.94 54.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -46.46 -25.9 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.6 m -80.94 -33.32 34.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.111 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -90.01 -10.71 43.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.582 ' CG2' HG23 ' A' ' 47' ' ' THR . 2.4 mt -60.03 -58.74 17.2 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.674 0.749 . . . . 0.0 111.168 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.527 ' N ' HG22 ' A' ' 36' ' ' ILE . 53.4 Cg_endo -69.77 -29.97 22.97 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -73.0 -43.25 62.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.0 mt -75.74 -45.62 35.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.1 t -53.76 -37.35 63.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -65.99 -37.07 85.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.26 -41.69 56.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.512 ' HB2' HD12 ' A' ' 45' ' ' LEU . 1.4 m -71.96 -5.84 37.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 64.06 32.18 13.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.512 HD12 ' HB2' ' A' ' 43' ' ' SER . 4.4 mt -120.87 173.42 7.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.3 m -83.26 154.64 24.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.582 HG23 ' CG2' ' A' ' 36' ' ' ILE . 85.4 m -48.88 -31.46 7.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.184 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -79.59 -40.63 28.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -48.68 -49.93 35.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.429 HG13 HD22 ' A' ' 21' ' ' LEU . 57.1 t -61.27 -43.44 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.0 mt -55.61 -41.5 73.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -76.7 -30.72 56.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.518 ' CZ2' HG22 ' A' ' 18' ' ' ILE . 28.7 t90 -60.76 -55.69 30.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.668 ' O ' HD12 ' A' ' 58' ' ' LEU . 42.3 m-85 -60.04 -57.33 13.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.43 ' HA ' HD13 ' A' ' 58' ' ' LEU . 3.4 t70 -46.13 -36.57 6.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.2 t -70.89 -29.22 65.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 54' ' ' PHE . 10.9 mmm180 -63.76 -31.42 72.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.668 HD12 ' O ' ' A' ' 54' ' ' PHE . 2.2 mp -85.13 152.21 58.21 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.62 0.724 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.447 ' C ' ' HD3' ' A' ' 61' ' ' PRO . 54.0 Cg_endo -69.83 -178.93 2.6 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.627 2.218 . . . . 0.0 112.377 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.505 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 6.3 mm100 37.39 50.63 1.92 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.58 0.705 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 60' ' ' GLN . 53.7 Cg_endo -69.74 -175.21 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.76 2.307 . . . . 0.0 112.309 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -105.57 90.36 3.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.94 165.9 10.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.7 p -104.49 -32.54 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.055 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -85.73 142.51 28.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.49 -90.91 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.541 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.73 91.38 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.723 2.282 . . . . 0.0 112.311 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.0 m -171.49 167.55 6.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 70' ' ' GLY . 52.3 m 41.22 41.98 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 69' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.526 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 t -167.28 128.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.82 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.9 p -133.43 163.39 29.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.78 106.33 0.2 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.498 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 p -59.8 -38.6 82.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.916 0.389 . . . . 0.0 110.895 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t 53.32 42.8 32.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.28 -166.09 26.77 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.457 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 152.3 68.72 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.694 2.263 . . . . 0.0 112.34 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 mt -70.78 142.99 88.88 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.569 0.699 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 164.84 32.99 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.701 2.267 . . . . 0.0 112.335 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.518 HD13 ' N ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -64.31 149.58 94.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.689 0.757 . . . . 0.0 111.12 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.417 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 53.3 Cg_endo -69.84 110.32 2.54 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.674 2.249 . . . . 0.0 112.32 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 12' ' ' PRO . 54.6 Cg_endo -69.7 164.5 34.22 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.635 2.223 . . . . 0.0 112.436 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 167.8 23.38 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.338 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.432 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 53.6 Cg_endo -69.75 110.39 2.54 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.312 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 15' ' ' PRO . 53.1 Cg_endo -69.82 -178.54 2.41 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.729 2.286 . . . . 0.0 112.321 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -119.26 117.88 29.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.414 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 2.3 mm -93.61 -19.33 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.591 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 9.4 mt-30 -53.24 -45.16 98.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.539 0.685 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 63.7 Cg_exo -48.01 -41.64 32.94 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.612 2.208 . . . . 0.0 112.434 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.572 HD22 ' HE1' ' A' ' 54' ' ' PHE . 3.0 mt -85.67 -52.48 5.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 53' ' ' TRP . 6.2 mm-40 -48.94 -41.15 32.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -68.1 -46.82 69.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -61.43 -36.97 81.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.452 ' CE2' ' HG3' ' A' ' 29' ' ' GLN . 76.6 t-105 -67.82 -48.57 65.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.002 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.76 -17.25 64.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.72 -56.8 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -102.02 -41.22 6.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.452 ' HG3' ' CE2' ' A' ' 25' ' ' TRP . 8.3 tt0 72.06 42.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -169.89 135.24 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.456 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 59.2 tp -91.34 155.66 18.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -143.19 136.2 27.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.432 ' HA ' HD12 ' A' ' 36' ' ' ILE . 38.9 mt-10 -46.87 -28.59 1.63 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 t -77.72 -36.09 51.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.199 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.8 -10.27 48.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.538 HD11 HD21 ' A' ' 51' ' ' LEU . 2.5 mt -59.2 -58.23 21.08 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.606 0.717 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.1 Cg_endo -69.88 -31.0 20.83 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.673 2.249 . . . . 0.0 112.332 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -69.06 -37.6 78.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.6 mt -79.13 -46.17 18.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -52.27 -23.38 5.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.47 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 2.6 pt20 -74.17 -46.8 39.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.47 ' N ' ' CG ' ' A' ' 41' ' ' GLN . . . -72.71 -38.12 67.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.0 p -71.99 -14.77 61.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 66.21 30.84 9.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.431 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 15.7 mt -120.68 175.44 6.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -84.3 173.69 10.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.41 -37.46 85.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.2 tp60 -73.54 -36.67 65.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.431 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 14.0 mm100 -54.81 -50.21 69.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.89 -45.36 99.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.538 HD21 HD11 ' A' ' 36' ' ' ILE . 17.2 mt -57.68 -31.1 66.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -81.05 -34.08 33.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.824 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.563 ' CZ2' ' HG2' ' A' ' 22' ' ' GLU . 26.8 t90 -60.55 -58.26 9.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.572 ' HE1' HD22 ' A' ' 21' ' ' LEU . 14.3 m-85 -58.19 -43.18 87.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -46.54 -40.74 13.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.814 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 m -69.43 -29.63 67.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.436 ' HG3' ' CZ3' ' A' ' 53' ' ' TRP . 4.5 mmp_? -73.04 -48.02 39.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.651 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -75.03 144.13 78.76 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.669 0.747 . . . . 0.0 110.86 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.463 ' C ' HD12 ' A' ' 58' ' ' LEU . 54.5 Cg_endo -69.79 103.73 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.422 ' HB3' HD11 ' A' ' 58' ' ' LEU . 4.2 pp0? -125.4 144.42 47.7 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.694 0.759 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 111.37 2.8 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.66 2.24 . . . . 0.0 112.318 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -175.04 138.62 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.099 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.72 -175.73 4.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.2 t -140.53 115.64 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.7 p -122.55 15.32 10.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.808 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 130.33 143.47 5.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.447 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 177.73 5.28 Favored 'Trans proline' 0 N--CA 1.464 -0.224 0 C-N-CA 122.724 2.283 . . . . 0.0 112.408 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.7 t -175.02 150.76 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.854 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 m 51.72 43.75 29.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.523 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.4 m -126.21 99.82 6.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.369 . . . . 0.0 110.797 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.0 m -138.43 109.45 6.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.14 92.4 0.94 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 m -100.87 115.65 30.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 110.797 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -99.03 107.23 19.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.812 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.03 -89.26 0.14 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 176.79 6.27 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.374 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.7 mt -54.3 156.52 5.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.72 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 148.1 63.84 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.672 2.248 . . . . 0.0 112.284 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.0 pt -73.02 145.2 85.99 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.672 0.749 . . . . 0.0 111.123 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.42 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 52.7 Cg_endo -69.87 110.4 2.57 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.658 2.239 . . . . 0.0 112.268 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 12' ' ' PRO . 53.5 Cg_endo -69.8 150.34 67.83 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.737 2.291 . . . . 0.0 112.335 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.61 165.85 29.39 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.735 2.29 . . . . 0.0 112.407 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.411 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 53.5 Cg_endo -69.82 110.28 2.53 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.678 2.252 . . . . 0.0 112.386 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 15' ' ' PRO . 53.9 Cg_endo -69.69 163.76 37.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.349 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 43' ' ' SER . 33.3 t0 -107.21 116.95 32.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.545 ' CG2' ' NE1' ' A' ' 53' ' ' TRP . 5.0 mm -92.87 -11.44 9.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.569 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 5.1 mm-40 -54.05 -45.57 98.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.583 0.706 . . . . 0.0 110.942 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 64.3 Cg_exo -47.99 -40.66 33.31 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.718 2.279 . . . . 0.0 112.379 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.435 HD22 ' HE1' ' A' ' 54' ' ' PHE . 3.2 mt -85.82 -33.77 21.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -58.97 -46.61 87.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -66.14 -59.25 3.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -48.76 -33.47 10.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -75.92 -49.96 16.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.24 -18.52 64.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.82 -54.08 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -93.21 -46.5 7.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 72.9 27.07 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -150.41 151.3 32.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.665 HD13 ' CD1' ' A' ' 54' ' ' PHE . 33.9 tp -109.69 146.77 34.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.404 ' H ' ' CG ' ' A' ' 35' ' ' ASP . 30.2 mtt180 -138.52 131.75 30.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.594 ' HA ' HD12 ' A' ' 36' ' ' ILE . 7.0 mm-40 -45.97 -25.04 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.6 m -78.53 -37.35 43.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.404 ' CG ' ' H ' ' A' ' 32' ' ' ARG . 15.1 p30 -87.11 -11.69 49.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 33' ' ' GLU . 2.9 mt -59.07 -58.68 17.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.639 0.733 . . . . 0.0 111.153 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.53 ' N ' HG22 ' A' ' 36' ' ' ILE . 54.5 Cg_endo -69.78 -37.76 8.68 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.696 2.264 . . . . 0.0 112.409 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -63.77 -44.39 93.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.3 mt -71.71 -45.18 62.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 t -51.13 -39.15 55.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -67.74 -30.29 69.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.86 -42.61 57.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.499 ' OG ' HD12 ' A' ' 45' ' ' LEU . 87.9 p -82.81 0.25 44.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.89 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? 60.89 32.83 20.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.499 HD12 ' OG ' ' A' ' 43' ' ' SER . 16.6 mt -111.72 -177.42 3.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.4 p -95.45 160.73 14.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.9 m -52.6 -30.02 28.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -80.78 -42.11 22.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.425 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 7.8 mm-40 -48.75 -54.53 14.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.4 t -58.91 -40.61 80.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 mt -57.54 -41.51 81.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -73.53 -30.9 63.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.545 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 3.5 t90 -62.09 -53.61 53.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.665 ' CD1' HD13 ' A' ' 31' ' ' LEU . 41.5 m-85 -67.39 -42.97 82.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -62.34 -36.98 83.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.1 t -72.36 -31.4 65.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -63.45 -35.78 81.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.462 ' C ' ' H ' ' A' ' 60' ' ' GLN . 26.7 mt -46.46 148.65 1.59 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.591 0.71 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 18.74 0.19 Allowed 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.721 2.281 . . . . 0.0 112.393 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.462 ' H ' ' C ' ' A' ' 58' ' ' LEU . 5.9 pt20 -62.31 148.02 90.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.621 0.724 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 102.35 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.338 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -171.17 129.87 0.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.148 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.409 ' OE1' ' N ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -93.22 130.69 38.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.409 ' N ' ' OE1' ' A' ' 63' ' ' GLU . 14.1 p -129.22 143.95 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.8 p -173.1 144.94 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -153.39 150.9 22.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.63 -26.77 27.85 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.738 2.292 . . . . 0.0 112.364 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.6 m -148.16 167.25 25.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 t -104.76 119.56 39.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -142.53 142.97 32.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.351 . . . . 0.0 110.889 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -149.3 116.84 6.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.95 130.01 6.66 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.441 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -169.83 131.08 1.05 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.907 0.384 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.4 p -130.4 168.22 17.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.02 -94.47 0.67 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.415 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 158.22 57.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.634 2.223 . . . . 0.0 112.346 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.0 mt -68.93 149.69 97.8 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.623 0.725 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 137.69 36.27 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.396 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.484 HD13 ' N ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -72.07 144.94 88.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.628 0.728 . . . . 0.0 111.133 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.432 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 53.9 Cg_endo -69.77 110.37 2.54 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.338 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 12' ' ' PRO . 53.8 Cg_endo -69.82 148.93 65.76 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 166.72 26.66 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.71 2.273 . . . . 0.0 112.328 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.431 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 53.4 Cg_endo -69.75 110.31 2.52 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.749 2.3 . . . . 0.0 112.366 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 15' ' ' PRO . 53.4 Cg_endo -69.74 163.74 37.12 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.744 2.296 . . . . 0.0 112.311 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -103.08 114.72 29.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.422 HG21 ' HE1' ' A' ' 53' ' ' TRP . 5.4 mm -92.82 -9.18 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.58 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 14.3 mt-30 -55.37 -45.61 99.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.602 0.715 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.3 Cg_exo -47.97 -42.72 31.48 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.389 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.571 HD22 ' HE1' ' A' ' 54' ' ' PHE . 4.0 mt -82.9 -35.64 25.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -57.27 -48.54 78.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.5 mmt-85 -68.96 -55.54 10.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.43 ' CD1' ' CE1' ' A' ' 28' ' ' HIS . 53.6 t80 -47.65 -33.71 7.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 77.6 t-105 -77.22 -50.12 13.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.89 -18.98 65.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.071 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.54 -54.64 2.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.073 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.43 ' CE1' ' CD1' ' A' ' 24' ' ' TYR . 3.5 m80 -86.52 -47.58 9.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 71.47 38.2 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -172.14 157.08 4.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 32' ' ' ARG . 19.2 tp -113.56 152.62 30.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.405 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 73.8 mtp180 -141.81 138.68 32.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -50.27 -24.97 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.2 p -81.01 -32.7 34.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.165 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.88 -11.15 42.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.552 ' CG2' HG23 ' A' ' 47' ' ' THR . 2.3 mt -59.27 -58.7 17.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.655 0.74 . . . . 0.0 111.156 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.536 ' N ' HG22 ' A' ' 36' ' ' ILE . 53.5 Cg_endo -69.8 -34.91 13.5 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.577 2.185 . . . . 0.0 112.376 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -66.54 -41.11 89.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.6 mt -75.88 -46.4 30.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 t -53.36 -35.96 60.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -69.19 -30.16 68.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.964 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.19 -52.57 10.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.551 ' OG ' HD12 ' A' ' 45' ' ' LEU . 85.7 p -71.78 0.84 7.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 59.83 26.7 15.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.551 HD12 ' OG ' ' A' ' 43' ' ' SER . 16.8 mt -105.78 176.28 5.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.5 p -85.25 153.48 22.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.552 HG23 ' CG2' ' A' ' 36' ' ' ILE . 42.6 m -51.42 -26.26 7.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.0 tp60 -82.63 -36.99 25.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.969 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -53.45 -53.76 46.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 72.1 t -57.48 -38.2 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.4 HD21 HD11 ' A' ' 36' ' ' ILE . 10.6 mt -58.74 -42.01 87.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -74.03 -31.45 62.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.422 ' HE1' HG21 ' A' ' 18' ' ' ILE . 3.1 t90 -59.21 -60.59 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.571 ' HE1' HD22 ' A' ' 21' ' ' LEU . 36.6 m-85 -62.78 -47.7 82.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -52.14 -40.85 61.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.8 t -67.02 -35.53 80.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.6 mmt-85 -62.87 -40.51 97.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.476 ' C ' ' H ' ' A' ' 60' ' ' GLN . 80.6 mt -44.3 150.29 0.65 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.626 0.727 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 18.69 0.19 Allowed 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.784 2.323 . . . . 0.0 112.341 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.476 ' H ' ' C ' ' A' ' 58' ' ' LEU . 71.8 mt-30 -70.99 156.86 91.49 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.612 0.72 . . . . 0.0 110.853 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 107.45 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.653 2.236 . . . . 0.0 112.32 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -172.32 153.8 3.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -85.06 165.93 17.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.6 p -142.72 139.73 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.6 t -76.58 -59.58 2.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -179.9 147.0 7.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.535 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -4.57 14.26 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.728 2.285 . . . . 0.0 112.315 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.5 m 40.91 38.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.921 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.7 p -55.57 150.94 11.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.8 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.447 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.533 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.0 m 42.58 42.0 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.84 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 m -114.21 169.85 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.59 73.35 0.51 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.558 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -80.04 -62.42 1.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.359 . . . . 0.0 110.871 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 m -76.21 133.57 40.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.64 177.14 36.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 177.3 5.68 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.1 mt -112.01 152.16 44.1 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.576 0.703 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.86 -177.04 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.302 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.1 pt -43.01 147.05 0.7 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.661 0.744 . . . . 0.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.65 147.16 62.97 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.452 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 168.39 21.65 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.627 2.218 . . . . 0.0 112.362 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 169.93 17.79 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.466 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 54.0 Cg_endo -69.74 110.28 2.51 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.694 2.263 . . . . 0.0 112.336 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.466 ' HD2' ' HA ' ' A' ' 15' ' ' PRO . 54.3 Cg_endo -69.65 161.52 45.6 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.42 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -105.9 105.93 16.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.427 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 5.6 mm -88.95 -20.45 7.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.579 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 25.5 mt-30 -49.45 -46.29 78.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.631 0.729 . . . . 0.0 110.94 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.5 Cg_exo -48.0 -46.14 22.94 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.519 HD22 HG13 ' A' ' 50' ' ' VAL . 2.7 mt -78.89 -38.81 36.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.454 ' HG2' ' CH2' ' A' ' 53' ' ' TRP . 14.1 mt-10 -54.05 -49.27 69.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -70.86 -48.01 56.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.426 ' CZ ' ' OD2' ' A' ' 35' ' ' ASP . 46.2 t80 -55.96 -37.05 68.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -62.65 -58.2 8.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.933 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.68 -4.6 35.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.94 -56.61 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -104.54 -31.95 9.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 60.85 44.28 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -171.71 119.8 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.499 HD21 HG12 ' A' ' 36' ' ' ILE . 58.2 tp -90.06 129.91 36.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.93 138.09 51.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.523 ' HA ' HD12 ' A' ' 36' ' ' ILE . 18.0 tt0 -51.4 -25.51 6.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.0 t -80.97 -30.28 35.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.071 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.493 ' OD2' ' CD1' ' A' ' 39' ' ' LEU . 2.5 t70 -94.89 -14.79 24.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' A' ' 33' ' ' GLU . 3.0 mt -54.94 -58.72 13.23 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.669 0.747 . . . . 0.0 111.177 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.523 ' N ' HG22 ' A' ' 36' ' ' ILE . 54.7 Cg_endo -69.69 -23.17 31.4 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.752 2.302 . . . . 0.0 112.389 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -75.82 -41.93 51.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.493 ' CD1' ' OD2' ' A' ' 35' ' ' ASP . 38.0 mt -76.15 -44.6 37.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 t -54.24 -41.02 68.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -61.83 -32.83 73.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.1 -36.25 30.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.053 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.0 m -78.71 -4.08 47.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 63.61 28.93 15.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.449 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 18.9 mt -116.84 171.23 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 p -84.82 156.0 21.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.409 HG23 ' CG2' ' A' ' 36' ' ' ILE . 5.4 m -52.57 -22.86 5.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.167 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -85.39 -32.3 22.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.449 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 38.3 mm-40 -60.25 -52.02 67.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.519 HG13 HD22 ' A' ' 21' ' ' LEU . 70.5 t -59.84 -38.27 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.8 mt -60.05 -40.27 88.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -77.59 -35.31 53.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.454 ' CH2' ' HG2' ' A' ' 22' ' ' GLU . 6.6 t90 -55.52 -52.66 62.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -66.83 -50.2 63.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.425 ' HA ' HD12 ' A' ' 58' ' ' LEU . 9.8 t70 -49.88 -41.96 46.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.5 m -65.19 -36.39 84.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.832 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.6 mmt-85 -66.15 -41.64 90.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.471 ' C ' ' H ' ' A' ' 60' ' ' GLN . 25.4 mt -42.63 154.31 0.29 Allowed Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.679 0.752 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 18.79 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.595 2.196 . . . . 0.0 112.338 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.471 ' H ' ' C ' ' A' ' 58' ' ' LEU . 2.3 tt0 -74.92 139.21 73.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.585 0.707 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 118.63 5.8 Favored 'Trans proline' 0 C--O 1.23 0.121 0 C-N-CA 122.672 2.248 . . . . 0.0 112.319 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -131.12 121.65 25.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -109.17 43.93 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.8 m -93.32 171.67 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.1 m -115.9 -51.0 2.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.96 73.31 0.63 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.506 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 118.33 5.61 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.709 2.272 . . . . 0.0 112.42 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.2 t -88.61 153.23 21.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.5 t -154.77 121.82 5.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.506 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.6 p 44.15 42.42 4.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.895 0.379 . . . . 0.0 110.887 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.7 m -78.14 -56.05 4.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.09 -172.77 49.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.515 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.6 p -155.05 153.85 31.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.824 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -108.61 161.64 14.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.42 -101.45 1.57 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.42 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 171.77 13.85 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.417 ' O ' HD12 ' A' ' 9' ' ' LEU . 1.5 pp -41.04 156.8 0.2 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.547 0.689 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 163.28 38.85 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.751 2.301 . . . . 0.0 112.309 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.887 ' O ' HD12 ' A' ' 11' ' ' ILE . 2.3 pp -81.33 144.16 53.24 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.665 0.745 . . . . 0.0 111.168 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 151.65 68.72 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.637 2.225 . . . . 0.0 112.336 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.479 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 54.1 Cg_endo -69.71 110.36 2.52 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.337 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.479 ' HD2' ' HA ' ' A' ' 13' ' ' PRO . 53.3 Cg_endo -69.9 169.73 18.41 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.652 2.235 . . . . 0.0 112.305 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.409 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 53.5 Cg_endo -69.77 110.28 2.52 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.683 2.256 . . . . 0.0 112.327 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 15' ' ' PRO . 54.3 Cg_endo -69.7 175.45 8.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.64 2.227 . . . . 0.0 112.404 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 43' ' ' SER . 42.6 t0 -117.29 114.98 24.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mm -90.79 -13.18 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.578 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 20.9 mt-30 -53.71 -45.72 98.64 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 0.0 110.928 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 66.2 Cg_exo -48.02 -43.87 29.29 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.641 2.227 . . . . 0.0 112.35 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.542 HD22 ' HE1' ' A' ' 54' ' ' PHE . 3.2 mt -81.65 -36.94 28.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -56.06 -48.57 75.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.9 mmm-85 -69.61 -51.44 35.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.516 ' CG ' HD11 ' A' ' 39' ' ' LEU . 47.0 t80 -51.81 -34.99 42.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -71.21 -51.36 25.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.95 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.12 -19.07 64.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.49 -57.88 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.037 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -92.36 -45.95 7.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 69.16 39.22 1.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -171.3 121.07 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.455 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 39.4 tp -77.63 144.58 37.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -140.86 131.64 25.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.876 ' HA ' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -43.12 -27.37 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.0 m -74.97 -44.1 50.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.33 -6.72 54.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.876 HD12 ' HA ' ' A' ' 33' ' ' GLU . 4.0 mt -62.87 -58.11 18.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.58 0.705 . . . . 0.0 111.123 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.5 Cg_endo -69.7 -38.93 7.25 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.664 2.243 . . . . 0.0 112.334 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -59.52 -41.63 90.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.516 HD11 ' CG ' ' A' ' 24' ' ' TYR . 51.0 mt -74.42 -38.88 62.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.8 t -56.11 -37.07 68.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -67.68 -34.3 76.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.27 -50.57 45.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 38.4 t -76.58 1.19 17.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 58.79 38.26 24.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 35.7 mt -116.62 173.47 6.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 49' ' ' GLN . 3.5 p -86.99 149.61 24.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 m -43.89 -33.54 1.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.157 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -76.55 -35.43 58.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.469 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 24.5 mm100 -55.38 -51.14 67.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.2 -39.68 83.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.4 mt -58.14 -39.41 78.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -76.65 -30.99 57.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.44 ' CZ3' ' HG3' ' A' ' 57' ' ' ARG . 18.5 t90 -61.77 -55.09 33.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.542 ' HE1' HD22 ' A' ' 21' ' ' LEU . 22.9 m-85 -63.78 -48.81 75.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.489 ' HA ' HD12 ' A' ' 58' ' ' LEU . 8.9 t70 -49.54 -38.83 32.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.8 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 57.8 m -70.12 -35.44 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.44 ' HG3' ' CZ3' ' A' ' 53' ' ' TRP . 3.5 mmp_? -61.45 -31.23 71.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 55' ' ' ASP . 20.7 mt -48.38 151.54 1.87 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.599 0.714 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 18.57 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.476 ' H ' ' C ' ' A' ' 58' ' ' LEU . 33.5 mt-30 -47.64 146.48 3.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.555 0.693 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 176.79 6.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.295 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -114.27 104.55 12.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.173 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -66.8 120.85 14.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.955 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.8 t -83.36 137.34 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 76.5 p -46.27 161.03 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.816 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.22 -159.06 27.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.423 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -178.14 2.2 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.715 2.277 . . . . 0.0 112.326 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.2 m -144.31 170.04 16.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.2 t -94.24 -52.26 4.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.83 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m -113.98 133.54 55.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.937 0.399 . . . . 0.0 110.906 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.0 p -158.92 140.28 13.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.9 -141.42 11.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 t -126.4 115.47 19.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 p -167.72 148.57 5.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.441 ' C ' ' HD3' ' A' ' 10' ' ' PRO . . . 158.86 173.9 27.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.525 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 9' ' ' LEU . 54.3 Cg_endo -69.73 83.36 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.429 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.47 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 11.9 mt 33.33 52.8 1.03 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.641 0.734 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 9' ' ' LEU . 54.1 Cg_endo -69.76 -174.02 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.312 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.2 pt -73.45 150.88 89.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.585 0.707 . . . . 0.0 111.157 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 159.06 54.79 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.325 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.66 145.05 56.51 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.702 2.268 . . . . 0.0 112.374 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.77 164.5 34.3 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.631 2.221 . . . . 0.0 112.409 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 110.31 2.52 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.71 2.273 . . . . 0.0 112.362 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 174.12 9.9 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.737 2.291 . . . . 0.0 112.337 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.418 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 3.3 m-20 -115.43 110.47 19.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.431 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 3.9 mm -88.56 -22.15 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.57 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 3.9 mt-30 -50.83 -45.7 86.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.64 0.734 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.2 Cg_exo -47.99 -44.69 27.12 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.757 2.305 . . . . 0.0 112.332 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.528 HD23 ' HB3' ' A' ' 39' ' ' LEU . 2.1 mt -82.26 -35.5 28.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -57.31 -49.5 75.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.815 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -65.44 -56.68 11.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -49.27 -35.05 16.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.465 ' CE3' ' CD2' ' A' ' 54' ' ' PHE . 75.3 t-105 -72.85 -50.92 21.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.85 -14.14 62.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.092 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.2 -57.95 2.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -92.6 -39.05 11.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.413 ' OE1' ' CD1' ' A' ' 25' ' ' TRP . 0.9 OUTLIER 63.21 43.41 6.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -174.56 130.66 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.411 ' CD2' HD23 ' A' ' 51' ' ' LEU . 53.0 tp -85.24 152.89 22.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -142.58 137.15 29.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.507 ' HA ' HD12 ' A' ' 36' ' ' ILE . 22.1 tt0 -50.62 -23.42 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.1 t -82.62 -32.55 28.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.76 -13.86 33.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.529 HG22 ' N ' ' A' ' 37' ' ' PRO . 2.9 mt -55.41 -58.67 14.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.677 0.751 . . . . 0.0 111.127 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.529 ' N ' HG22 ' A' ' 36' ' ' ILE . 53.0 Cg_endo -69.8 -26.11 27.73 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.628 2.219 . . . . 0.0 112.342 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -74.23 -39.53 63.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.528 ' HB3' HD23 ' A' ' 21' ' ' LEU . 54.0 mt -77.42 -50.06 13.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.39 -22.26 4.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.506 ' C ' ' CD ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -72.89 -44.43 61.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.441 ' N ' ' CG ' ' A' ' 41' ' ' GLN . . . -75.59 -37.22 60.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.101 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.0 p -75.42 -12.16 60.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.84 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 56.8 33.28 22.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.1 mt -111.79 -176.17 2.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.404 ' C ' ' N ' ' A' ' 48' ' ' GLN . 80.8 p -88.32 142.7 27.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.8 m -44.31 -22.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.063 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.404 ' N ' ' C ' ' A' ' 46' ' ' SER . 33.9 tp60 -85.51 -45.76 11.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -46.34 -55.14 7.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.52 HG13 HD22 ' A' ' 21' ' ' LEU . 74.6 t -55.43 -42.53 67.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.461 HD21 HD11 ' A' ' 36' ' ' ILE . 12.4 mt -57.07 -38.68 73.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -79.17 -34.4 43.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.503 ' CZ3' ' HG3' ' A' ' 57' ' ' ARG . 20.7 t90 -56.58 -50.36 72.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.516 ' HE1' HD22 ' A' ' 21' ' ' LEU . 14.7 m-85 -66.3 -43.28 86.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -56.22 -41.01 74.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 m -68.11 -37.11 80.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.503 ' HG3' ' CZ3' ' A' ' 53' ' ' TRP . 1.8 mmp_? -56.29 -33.35 65.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.3 mt -52.69 149.1 11.71 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.61 0.719 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.445 ' C ' ' HD3' ' A' ' 61' ' ' PRO . 53.6 Cg_endo -69.85 177.23 5.86 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.745 2.297 . . . . 0.0 112.29 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.62 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 10.5 tt0 51.9 43.6 1.69 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.605 0.717 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 60' ' ' GLN . 53.9 Cg_endo -69.77 175.89 7.51 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.256 . . . . 0.0 112.359 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.55 177.93 4.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -60.46 139.29 57.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -153.5 139.5 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.8 t -66.25 -53.31 38.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.79 80.45 0.68 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.538 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -4.38 13.93 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.641 2.227 . . . . 0.0 112.328 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.2 t -42.51 138.75 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.6 p -126.01 162.46 25.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.897 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.477 -179.962 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.6 t -172.76 162.17 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.898 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -173.94 171.5 3.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.72 135.5 4.41 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -174.82 169.94 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.86 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 7' ' ' GLY . 68.1 p -113.78 153.87 28.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.15 -97.43 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 6' ' ' SER . 54.0 Cg_endo -69.71 130.69 19.85 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.653 2.235 . . . . 0.0 112.35 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.71 HD12 ' O ' ' A' ' 10' ' ' PRO . 4.1 pp -92.5 143.05 26.63 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.613 0.721 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.71 ' O ' HD12 ' A' ' 9' ' ' LEU . 54.1 Cg_endo -69.76 -172.12 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.751 2.3 . . . . 0.0 112.37 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.0 pt -45.27 153.47 0.55 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.567 0.699 . . . . 0.0 111.153 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.89 146.38 59.2 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 167.5 24.24 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.654 2.236 . . . . 0.0 112.421 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 168.92 20.21 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 147.09 62.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 168.74 20.82 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.623 2.216 . . . . 0.0 112.324 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -105.51 114.45 28.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.449 ' CG2' ' NE1' ' A' ' 53' ' ' TRP . 4.3 mm -91.12 -10.99 9.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.154 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.576 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 3.1 mt-30 -52.95 -45.7 97.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.662 0.744 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 66.0 Cg_exo -48.07 -44.85 27.05 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.425 HD22 ' HE1' ' A' ' 54' ' ' PHE . 3.1 mt -81.4 -35.73 30.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -56.37 -48.39 76.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -68.13 -55.76 11.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -48.4 -32.64 7.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -73.69 -50.68 19.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.51 -7.66 48.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.09 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.87 -57.02 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -93.44 -40.27 10.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 68.26 40.64 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -170.11 166.15 9.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.957 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.7 tp -118.78 145.92 45.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -137.76 132.77 33.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -48.73 -21.31 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.3 p -82.08 -35.35 28.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -89.22 -9.25 51.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.537 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.7 mt -60.98 -57.94 22.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.578 0.704 . . . . 0.0 111.169 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 52.8 Cg_endo -69.79 -34.64 14.08 Favored 'Trans proline' 0 C--O 1.23 0.111 0 C-N-CA 122.75 2.3 . . . . 0.0 112.254 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -68.12 -44.77 75.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 42' ' ' ALA . 59.6 mt -70.14 -50.0 44.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.2 t -45.44 -38.8 6.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -68.27 -31.81 71.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 39' ' ' LEU . . . -74.85 -40.29 61.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.475 ' HB2' HD12 ' A' ' 45' ' ' LEU . 1.3 m -83.76 -5.1 59.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 60.8 35.35 19.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.475 HD12 ' HB2' ' A' ' 43' ' ' SER . 10.0 mt -115.64 -177.91 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 p -92.26 151.21 20.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 m -45.07 -34.68 2.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.194 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -76.28 -38.94 55.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.412 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 26.1 mm100 -51.28 -53.48 35.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.403 HG13 HD22 ' A' ' 21' ' ' LEU . 79.3 t -58.82 -44.36 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.0 mt -53.84 -43.06 69.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -71.38 -33.55 69.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.449 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 2.5 t90 -57.92 -59.43 5.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.425 ' HE1' HD22 ' A' ' 21' ' ' LEU . 71.9 m-85 -63.21 -37.19 86.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.833 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -60.67 -31.74 70.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 m -79.61 -19.32 49.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -87.48 -26.38 23.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.554 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 8.4 mt -53.66 -57.18 18.49 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.71 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.6 Cg_endo -69.84 99.84 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.585 2.19 . . . . 0.0 112.34 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.47 ' C ' ' O ' ' A' ' 59' ' ' PRO . 70.6 mt-30 -32.53 95.94 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.561 0.696 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.445 ' N ' ' O ' ' A' ' 59' ' ' PRO . 54.7 Cg_endo -69.73 -178.34 2.28 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.747 2.298 . . . . 0.0 112.391 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.37 106.52 18.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -69.63 145.53 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.6 m -118.23 -12.29 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.156 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -107.1 141.82 37.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -108.0 -91.97 2.22 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.515 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 101.26 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.703 2.269 . . . . 0.0 112.346 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.6 t -174.32 123.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.4 t -93.24 101.23 13.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.56 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.169 0 CA-C-O 120.828 0.262 . . . . 0.0 112.365 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -111.43 115.64 29.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.487 ' CG2' ' NE1' ' A' ' 53' ' ' TRP . 4.2 mm -90.93 -11.75 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.58 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 14.3 mt-30 -51.66 -45.68 91.38 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.609 0.719 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.4 Cg_exo -47.91 -48.8 15.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.736 2.291 . . . . 0.0 112.374 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.629 HD22 ' HE1' ' A' ' 54' ' ' PHE . 2.9 mt -78.16 -34.91 49.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -57.25 -48.99 77.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -69.47 -51.05 39.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -54.59 -41.08 69.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.539 ' CE2' ' OE1' ' A' ' 29' ' ' GLN . 53.5 t-105 -57.7 -61.45 2.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.3 -22.24 66.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.16 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.13 -57.16 5.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.053 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -112.5 -39.96 4.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.539 ' OE1' ' CE2' ' A' ' 25' ' ' TRP . 1.1 tp-100 70.77 35.11 1.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -146.57 119.24 8.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.473 HD11 HG12 ' A' ' 36' ' ' ILE . 48.8 tp -88.95 130.38 35.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -125.08 142.97 51.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.827 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -53.07 -25.37 12.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -80.34 -35.0 36.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.98 -9.9 52.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.527 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.3 mt -63.33 -58.47 15.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 0.0 111.107 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.8 Cg_endo -69.67 -33.13 17.57 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.676 2.251 . . . . 0.0 112.379 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -68.25 -42.35 79.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.7 mt -73.56 -47.03 43.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 t -49.63 -40.3 38.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -62.66 -34.41 77.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.65 -52.15 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.4 m -73.09 0.34 11.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.4 mtt85 53.48 47.04 24.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.6 mt -123.19 179.2 4.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 49' ' ' GLN . 5.1 m -91.6 145.1 24.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -41.34 -34.96 0.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.15 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -73.85 -35.14 64.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 46' ' ' SER . 13.9 mm100 -57.6 -52.13 66.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 84.3 t -60.07 -42.37 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.4 mt -57.31 -42.95 82.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -74.0 -33.87 63.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.487 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 3.1 t90 -57.38 -58.7 7.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.629 ' HE1' HD22 ' A' ' 21' ' ' LEU . 49.4 m-85 -64.51 -50.85 65.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -48.09 -43.15 30.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.6 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.805 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.803 0.251 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -106.41 113.5 27.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.451 ' CG2' ' NE1' ' A' ' 53' ' ' TRP . 4.4 mm -91.71 -11.75 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.581 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 9.7 mt-30 -53.94 -45.72 98.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.597 0.713 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.7 Cg_exo -47.9 -45.83 23.53 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.731 2.287 . . . . 0.0 112.308 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.486 HD22 ' HE1' ' A' ' 54' ' ' PHE . 3.5 mt -80.07 -36.26 35.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -55.69 -50.71 69.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -64.58 -54.24 35.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -47.89 -39.93 20.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.492 ' CE2' ' HG3' ' A' ' 29' ' ' GLN . 74.1 t-105 -63.78 -58.45 6.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.26 -10.13 56.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.74 -48.9 7.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -123.85 -35.06 2.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.807 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.492 ' HG3' ' CE2' ' A' ' 25' ' ' TRP . 10.0 tt0 66.05 42.43 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -159.68 119.57 2.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.479 HD21 HG12 ' A' ' 36' ' ' ILE . 50.8 tp -82.17 142.27 32.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -125.83 131.31 52.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.576 ' HA ' HD12 ' A' ' 36' ' ' ILE . 4.1 mp0 -47.55 -26.1 1.33 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.493 HG23 ' OD1' ' A' ' 35' ' ' ASP . 10.0 t -81.63 -30.37 32.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.493 ' OD1' HG23 ' A' ' 34' ' ' THR . 1.7 m-20 -93.96 -10.06 34.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 33' ' ' GLU . 3.0 mt -59.71 -58.63 17.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.727 . . . . 0.0 111.198 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.6 Cg_endo -69.8 -27.85 25.77 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -73.18 -44.32 60.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 36.2 mt -73.5 -38.01 65.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.5 t -58.92 -37.9 77.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -71.32 -30.39 66.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.88 -41.88 35.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.7 m -77.7 -1.42 31.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 63.67 36.56 10.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.425 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 11.3 mt -125.9 177.24 6.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -91.69 173.4 7.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -36.44 79.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.194 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -72.83 -38.0 67.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.97 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.425 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 29.3 mm-40 -56.49 -48.38 77.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.41 HG13 HD22 ' A' ' 21' ' ' LEU . 70.5 t -65.78 -39.8 85.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.39 -45.55 93.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -70.58 -34.78 72.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.451 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 9.2 t90 -57.27 -59.49 5.04 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.486 ' HE1' HD22 ' A' ' 21' ' ' LEU . 29.7 m-85 -58.62 -51.95 67.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -52.37 -37.45 56.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.757 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.136 0 CA-C-O 120.859 0.274 . . . . 0.0 112.307 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -104.85 103.52 13.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.423 ' CG2' ' NE1' ' A' ' 53' ' ' TRP . 5.9 mm -89.89 -19.94 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.087 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.582 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 20.7 mt-30 -51.18 -45.58 89.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.597 0.713 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.5 Cg_exo -48.05 -46.32 22.54 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.656 2.238 . . . . 0.0 112.33 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.504 HD22 ' HE1' ' A' ' 54' ' ' PHE . 2.3 mt -78.66 -39.18 37.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -53.86 -49.55 68.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -67.3 -53.75 26.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -52.36 -37.39 56.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.43 ' O ' ' CD ' ' A' ' 29' ' ' GLN . 68.8 t-105 -68.09 -54.51 17.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.434 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . . . -69.39 -4.52 18.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.73 -57.69 2.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -100.35 -36.37 9.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.434 ' NE2' ' HA ' ' A' ' 26' ' ' ALA . 10.4 mp0 63.18 47.82 3.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -174.48 120.13 0.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.1 tp -81.81 144.12 31.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.6 mtp85 -129.97 136.52 49.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.429 ' HA ' HD12 ' A' ' 36' ' ' ILE . 7.9 mt-10 -48.38 -27.05 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.3 t -78.63 -36.25 44.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.46 -13.72 42.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.536 HG22 ' N ' ' A' ' 37' ' ' PRO . 2.4 mt -55.28 -58.78 13.36 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.733 0.778 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.536 ' N ' HG22 ' A' ' 36' ' ' ILE . 53.5 Cg_endo -69.77 -34.55 14.32 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.606 2.204 . . . . 0.0 112.341 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -65.68 -43.74 88.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 44.2 mt -73.27 -44.73 58.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.0 t -51.3 -39.83 57.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.45 ' HA ' ' NE2' ' A' ' 41' ' ' GLN . 6.4 mm-40 -61.61 -40.45 94.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.63 -40.5 73.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.0 p -81.1 -7.1 59.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? 57.25 33.09 22.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.444 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 48.6 mt -111.76 177.13 4.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 49' ' ' GLN . 12.2 p -86.21 146.4 26.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.794 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 m -41.54 -35.81 0.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.163 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -74.56 -40.02 61.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.444 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 12.3 mm100 -49.63 -52.33 31.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.405 HG13 HD22 ' A' ' 21' ' ' LEU . 79.9 t -59.45 -41.01 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.9 mt -57.29 -44.4 84.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -70.77 -40.83 72.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.423 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 8.4 t90 -52.53 -56.5 14.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.504 ' HE1' HD22 ' A' ' 21' ' ' LEU . 18.7 m-85 -64.14 -53.46 49.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.819 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -50.15 -40.07 45.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.729 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 N--CA 1.465 -0.178 0 CA-C-O 120.826 0.261 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.42 108.13 19.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.419 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 9.4 mm -89.62 -18.78 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.584 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 27.8 mm-40 -51.16 -45.91 88.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.0 Cg_exo -47.86 -44.42 27.17 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.713 2.275 . . . . 0.0 112.381 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.423 HD22 HG13 ' A' ' 50' ' ' VAL . 3.4 mt -79.9 -39.19 30.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.434 ' HG2' ' CH2' ' A' ' 53' ' ' TRP . 11.5 mt-10 -54.6 -49.54 70.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -68.93 -52.52 28.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.612 ' CD2' HD11 ' A' ' 39' ' ' LEU . 59.3 t80 -50.98 -34.86 30.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 53.8 t-105 -63.88 -54.99 26.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.55 -3.2 39.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.22 -57.95 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -99.83 -31.32 11.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 57.72 40.34 26.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -171.93 118.85 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.963 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.6 tp -92.36 138.13 31.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.441 ' HG3' HG22 ' A' ' 34' ' ' THR . 8.0 ptp180 -127.1 149.01 50.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.419 ' HA ' HD12 ' A' ' 36' ' ' ILE . 25.1 mt-10 -55.18 -23.57 22.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.441 HG22 ' HG3' ' A' ' 32' ' ' ARG . 12.3 t -79.23 -32.76 43.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.499 ' OD2' ' CZ ' ' A' ' 24' ' ' TYR . 3.7 t70 -94.84 -11.5 28.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.814 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.521 HG22 ' N ' ' A' ' 37' ' ' PRO . 2.6 mt -58.21 -58.7 16.95 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.598 0.713 . . . . 0.0 111.14 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.521 ' N ' HG22 ' A' ' 36' ' ' ILE . 54.2 Cg_endo -69.83 -24.19 29.65 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.632 2.221 . . . . 0.0 112.401 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -74.81 -44.62 48.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.612 HD11 ' CD2' ' A' ' 24' ' ' TYR . 31.7 mt -70.34 -48.99 53.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -50.24 -44.98 53.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -59.55 -30.83 68.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.956 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.66 -41.07 19.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.6 m -77.49 -6.41 53.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 62.86 37.5 12.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.0 mt -121.89 174.05 7.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.5 m -85.74 144.99 27.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.4 m -38.46 -37.21 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.9 tp60 -69.79 -48.38 59.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -43.62 -53.01 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.423 HG13 HD22 ' A' ' 21' ' ' LEU . 96.8 t -57.62 -43.66 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.8 mt -56.13 -48.95 75.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -68.17 -40.83 82.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.802 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.434 ' CH2' ' HG2' ' A' ' 22' ' ' GLU . 3.0 t90 -52.67 -57.67 9.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -68.36 -37.45 80.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.22 -43.04 78.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.843 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.147 0 CA-C-O 120.816 0.257 . . . . 0.0 112.329 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.42 ' CG ' ' HA ' ' A' ' 43' ' ' SER . 1.2 p-10 -122.5 113.03 18.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.449 HG21 ' HE1' ' A' ' 53' ' ' TRP . 4.5 mm -90.71 -13.3 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.588 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 8.9 mt-30 -51.13 -45.61 88.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 66.1 Cg_exo -48.0 -47.9 17.83 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.329 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.413 HD22 ' HE1' ' A' ' 54' ' ' PHE . 2.3 mt -77.15 -37.52 53.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -56.42 -48.36 77.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.6 mtm180 -73.81 -51.08 17.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.457 ' CD2' HD11 ' A' ' 39' ' ' LEU . 86.1 t80 -53.15 -40.95 64.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.963 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -55.41 -53.92 50.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.89 -7.92 56.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.65 -54.5 4.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -107.1 -35.95 6.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 63.05 46.78 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -174.05 120.39 0.28 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.553 HD11 HG12 ' A' ' 36' ' ' ILE . 49.2 tp -80.98 133.31 35.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.941 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -124.89 136.84 54.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.432 ' HA ' HD12 ' A' ' 36' ' ' ILE . 7.2 mp0 -48.68 -26.94 2.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 77.5 p -77.33 -37.53 52.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.13 -14.73 40.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.553 HG12 HD11 ' A' ' 31' ' ' LEU . 2.4 mt -54.61 -58.65 13.21 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.607 0.717 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.537 ' N ' HG22 ' A' ' 36' ' ' ILE . 52.8 Cg_endo -69.81 -34.62 14.07 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.727 2.285 . . . . 0.0 112.284 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -65.24 -41.76 94.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.457 HD11 ' CD2' ' A' ' 24' ' ' TYR . 41.9 mt -76.9 -45.43 28.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 t -54.47 -38.86 66.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -67.84 -33.42 74.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.05 -49.18 62.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.42 ' HA ' ' CG ' ' A' ' 17' ' ' ASP . 47.1 t -78.0 -0.72 28.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 57.98 38.86 26.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.7 mt -115.7 173.2 6.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 49' ' ' GLN . 8.6 m -84.24 142.2 30.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -38.15 -34.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -72.27 -44.75 62.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 46' ' ' SER . 13.3 mm100 -47.1 -49.61 21.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.24 -44.85 99.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 mt -52.8 -41.07 63.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -72.82 -40.68 65.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.449 ' HE1' HG21 ' A' ' 18' ' ' ILE . 2.3 t90 -52.37 -57.98 8.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.413 ' HE1' HD22 ' A' ' 21' ' ' LEU . 59.7 m-85 -63.19 -51.35 66.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -47.29 -42.79 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 62.2 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.793 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.136 0 CA-C-O 120.787 0.245 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.446 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.8 OUTLIER -97.74 106.71 19.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.422 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 9.6 mm -89.27 -19.57 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.571 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 9.0 mm-40 -51.09 -45.9 88.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 64.2 Cg_exo -47.97 -46.15 22.82 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.709 2.273 . . . . 0.0 112.365 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.613 HD23 ' HB3' ' A' ' 39' ' ' LEU . 2.4 mt -79.06 -38.52 36.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -54.25 -49.17 70.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -62.68 -57.38 11.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.595 ' CE2' ' OD2' ' A' ' 35' ' ' ASP . 37.3 t80 -51.6 -37.65 50.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.467 ' O ' ' NE2' ' A' ' 29' ' ' GLN . 70.5 t-105 -70.91 -51.07 28.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.82 -11.74 60.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.035 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.1 -56.44 2.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -99.04 -43.22 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' A' ' 25' ' ' TRP . 0.6 OUTLIER 72.16 29.58 2.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.901 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -149.93 120.42 7.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.44 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 52.9 tp -80.33 135.7 36.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.9 mmm-85 -126.13 131.2 52.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -46.65 -24.26 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 54.4 m -80.82 -34.89 33.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.595 ' OD2' ' CE2' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -88.7 -11.32 45.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.528 HG22 ' N ' ' A' ' 37' ' ' PRO . 2.3 mt -58.67 -58.62 17.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.721 . . . . 0.0 111.098 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.528 ' N ' HG22 ' A' ' 36' ' ' ILE . 53.8 Cg_endo -69.79 -43.5 2.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.638 2.225 . . . . 0.0 112.335 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -59.02 -40.49 85.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.613 ' HB3' HD23 ' A' ' 21' ' ' LEU . 78.1 mt -72.07 -48.03 47.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.7 t -50.08 -47.23 53.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.449 ' O ' ' NH2' ' A' ' 44' ' ' ARG . 68.0 mt-30 -59.83 -41.53 91.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.957 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.93 -34.5 78.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 88.9 p -92.44 3.62 55.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER 58.44 30.24 19.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.456 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 28.1 mt -109.29 177.13 4.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 49' ' ' GLN . 7.0 p -95.36 149.64 21.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -42.48 -35.67 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -76.92 -34.01 57.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.456 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 21.3 mm100 -57.73 -51.19 70.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.46 HG13 HD22 ' A' ' 21' ' ' LEU . 72.8 t -60.98 -38.95 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.34 -41.35 84.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -73.27 -38.35 65.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 9.4 t90 -53.96 -59.33 4.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.44 ' CD2' ' HB2' ' A' ' 31' ' ' LEU . 14.3 m-85 -60.28 -51.75 68.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.815 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -52.48 -40.33 62.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.8 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 -179.746 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo . . . . . 0 N--CA 1.465 -0.18 0 CA-C-O 120.781 0.242 . . . . 0.0 112.402 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.466 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -108.85 114.65 28.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.409 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 3.8 mm -90.59 -17.99 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.577 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 13.3 mt-30 -51.76 -45.63 91.91 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.53 0.681 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.1 Cg_exo -48.01 -47.86 17.99 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.734 2.289 . . . . 0.0 112.329 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.642 HD22 ' HE1' ' A' ' 54' ' ' PHE . 3.0 mt -77.81 -37.89 47.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.963 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -54.58 -50.15 68.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -66.8 -52.95 37.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.923 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -50.89 -34.23 27.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.569 ' CE3' ' HA ' ' A' ' 29' ' ' GLN . 58.8 t-105 -75.25 -53.84 8.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.7 -13.98 62.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.04 -54.41 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.063 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -99.04 -37.94 9.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.569 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . 20.2 tt0 62.0 34.97 16.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -163.63 123.19 2.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.953 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 67.8 tp -87.96 141.06 28.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -124.73 143.61 50.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.586 ' HA ' HD12 ' A' ' 36' ' ' ILE . 27.3 mt-10 -56.55 -19.52 16.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.3 t -85.45 -33.88 21.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.055 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -92.1 -6.49 50.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.586 HD12 ' HA ' ' A' ' 33' ' ' GLU . 3.2 mt -63.93 -58.41 14.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.621 0.725 . . . . 0.0 111.158 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 54.4 Cg_endo -69.76 -18.58 36.94 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.238 . . . . 0.0 112.325 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.594 HE22 HD23 ' A' ' 39' ' ' LEU . 2.0 tm0? -83.28 -48.7 10.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.594 HD23 HE22 ' A' ' 38' ' ' GLN . 60.3 mt -69.55 -41.88 75.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.5 t -54.41 -39.49 67.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -70.2 -26.46 63.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.59 -46.13 16.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.6 m -74.07 -2.22 23.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 64.48 36.87 8.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.461 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 8.2 mt -123.16 177.84 5.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 p -95.09 156.19 16.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.42 HG23 ' CG2' ' A' ' 36' ' ' ILE . 2.1 m -46.39 -35.1 5.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.153 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -78.11 -35.85 48.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 14.2 mm100 -57.07 -51.82 67.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 43.6 t -60.81 -39.61 82.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.7 mt -58.85 -45.57 89.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -69.57 -30.35 68.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.809 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 17.1 t90 -59.36 -64.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.642 ' HE1' HD22 ' A' ' 21' ' ' LEU . 63.1 m-85 -61.29 -29.51 69.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -55.39 -25.06 33.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.793 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.755 0.231 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.424 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 47.3 t0 -105.77 113.32 26.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.402 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 6.4 mm -90.42 -14.15 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.575 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 5.4 mm100 -51.49 -46.0 90.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.566 0.698 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.6 Cg_exo -47.99 -47.97 17.64 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.62 2.213 . . . . 0.0 112.361 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.479 HD21 HG22 ' A' ' 50' ' ' VAL . 2.3 mt -77.99 -37.44 47.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -54.79 -49.01 71.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -68.2 -54.61 16.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.819 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -52.8 -37.54 59.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 52.3 t-105 -62.35 -55.61 26.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.65 -6.51 44.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.085 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.82 -58.0 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -99.18 -35.03 10.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.81 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 62.07 42.97 9.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -169.77 119.43 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.0 tp -81.94 134.85 35.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -125.85 140.43 52.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -53.86 -22.08 9.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.7 p -83.5 -31.29 26.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.192 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.26 -13.01 33.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.524 HG22 ' N ' ' A' ' 37' ' ' PRO . 2.7 mt -58.4 -58.72 16.96 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.652 0.739 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.524 ' N ' HG22 ' A' ' 36' ' ' ILE . 54.5 Cg_endo -69.7 -25.56 28.76 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -75.16 -39.66 60.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.8 mt -77.7 -48.09 17.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -50.81 -26.01 5.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.464 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 1.7 pt20 -70.57 -46.7 63.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.464 ' N ' ' CG ' ' A' ' 41' ' ' GLN . . . -70.15 -44.59 68.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.07 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 m -73.92 -6.31 46.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.773 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 53.6 37.8 26.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.3 mt -112.19 -179.83 3.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 49' ' ' GLN . 4.2 m -91.91 146.76 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.8 m -42.83 -33.88 0.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.103 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -74.29 -35.81 63.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 46' ' ' SER . 14.2 mm100 -56.44 -52.37 64.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.479 HG22 HD21 ' A' ' 21' ' ' LEU . 75.9 t -61.55 -36.8 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.2 mt -63.53 -42.98 98.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -74.65 -37.99 62.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.401 ' HE1' HG21 ' A' ' 18' ' ' ILE . 2.0 t90 -53.81 -53.2 55.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -74.05 -39.34 63.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -56.83 -40.37 75.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 -179.803 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.798 0.249 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.404 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 1.1 m-20 -103.66 112.41 25.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.432 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 9.6 mm -92.51 -13.65 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.641 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 26.1 mp0 -59.76 -41.2 84.53 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.524 0.678 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.6 Cg_exo -48.02 -43.02 31.4 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.494 HD22 ' HE1' ' A' ' 54' ' ' PHE . 1.4 mt -83.06 -38.51 22.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.976 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -54.01 -46.59 71.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -68.07 -58.08 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.598 ' CD1' ' CD2' ' A' ' 28' ' ' HIS . 83.7 t80 -50.82 -40.28 55.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -56.9 -55.2 37.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.1 -5.05 47.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.12 -58.02 2.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.598 ' CD2' ' CD1' ' A' ' 24' ' ' TYR . 4.2 m-70 -103.2 -34.52 8.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 63.43 31.76 14.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -151.23 128.12 10.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.2 tp -89.36 132.8 34.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.424 ' H ' ' CG ' ' A' ' 35' ' ' ASP . 52.9 mtp180 -129.09 130.23 46.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -46.08 -23.91 0.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.3 t -79.01 -37.19 39.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.424 ' CG ' ' H ' ' A' ' 32' ' ' ARG . 10.9 p30 -86.68 -14.03 43.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.536 HG22 ' N ' ' A' ' 37' ' ' PRO . 2.4 mt -55.43 -58.63 14.32 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.558 0.694 . . . . 0.0 111.124 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.536 ' N ' HG22 ' A' ' 36' ' ' ILE . 53.6 Cg_endo -69.77 -40.02 5.8 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.31 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -60.58 -41.68 95.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.423 HD11 ' CD2' ' A' ' 24' ' ' TYR . 43.0 mt -74.79 -44.17 50.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.3 t -54.4 -42.65 70.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -64.3 -28.2 69.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.17 -46.89 17.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.103 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.8 m -73.81 -2.49 23.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 61.19 34.88 18.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.42 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 17.4 mt -118.29 176.35 5.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 49' ' ' GLN . 12.6 p -88.48 146.1 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -40.47 -37.13 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.164 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -73.71 -39.19 64.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 46' ' ' SER . 20.7 mm-40 -51.15 -51.31 54.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.0 t -60.01 -40.51 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.9 mt -57.69 -40.42 79.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -78.55 -35.41 46.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.412 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 27.0 t90 -56.21 -52.75 63.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.494 ' HE1' HD22 ' A' ' 21' ' ' LEU . 12.8 m-85 -65.87 -49.45 68.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -52.11 -35.38 47.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.728 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.827 0.261 . . . . 0.0 112.303 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.423 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -102.8 107.89 18.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.433 HG23 ' NE1' ' A' ' 53' ' ' TRP . 12.3 mm -88.68 -23.03 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.566 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 7.9 mt-30 -51.36 -45.98 89.85 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.643 0.735 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 63.9 Cg_exo -47.87 -42.23 31.35 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.692 2.261 . . . . 0.0 112.368 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.439 HD22 HG13 ' A' ' 50' ' ' VAL . 1.9 mt -83.81 -37.4 22.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.468 ' HG2' ' CZ2' ' A' ' 53' ' ' TRP . 13.8 mt-10 -55.4 -50.73 69.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -61.91 -49.29 76.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -54.63 -40.08 68.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.591 ' CZ3' ' O ' ' A' ' 29' ' ' GLN . 66.8 t-105 -71.29 -53.42 14.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.4 -2.97 9.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.06 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.58 -54.43 3.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -123.88 -15.19 6.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.591 ' O ' ' CZ3' ' A' ' 25' ' ' TRP . 17.1 mt-30 63.65 27.82 14.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -140.95 156.07 46.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.544 HD21 HG12 ' A' ' 36' ' ' ILE . 32.6 tp -120.95 144.7 48.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.8 mtt180 -123.89 130.49 52.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.521 ' HA ' HD12 ' A' ' 36' ' ' ILE . 37.4 mt-10 -47.55 -20.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.0 t -82.95 -35.82 25.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -88.34 -14.31 38.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.544 HG12 HD21 ' A' ' 31' ' ' LEU . 2.9 mt -55.16 -58.27 15.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.5 Cg_endo -69.78 -31.71 19.88 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.727 2.285 . . . . 0.0 112.321 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -67.97 -38.05 82.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.2 mt -78.12 -48.15 16.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -50.92 -25.05 4.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 2.7 pt20 -71.85 -46.53 57.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.468 ' N ' ' CG ' ' A' ' 41' ' ' GLN . . . -72.69 -36.03 67.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.2 p -74.58 -10.88 59.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 62.51 32.65 16.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 16.6 mt -119.87 172.57 7.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 49' ' ' GLN . 7.9 m -86.6 145.06 26.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.1 m -37.38 -34.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.153 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -72.79 -48.82 34.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.457 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 15.4 mm100 -43.65 -51.03 7.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.439 HG13 HD22 ' A' ' 21' ' ' LEU . 77.9 t -60.18 -44.9 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.168 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.5 mt -53.46 -39.52 64.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -75.93 -37.81 58.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.468 ' CZ2' ' HG2' ' A' ' 22' ' ' GLU . 13.1 t90 -54.13 -52.76 60.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -72.43 -37.89 68.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.23 -39.09 85.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.0 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.749 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.839 0.266 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -120.35 114.87 22.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.435 HG22 ' CZ2' ' A' ' 53' ' ' TRP . 2.8 mm -92.89 -21.95 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.576 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 6.6 mm-40 -51.7 -45.66 91.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.558 0.694 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 64.1 Cg_exo -47.93 -37.99 30.24 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.601 2.201 . . . . 0.0 112.378 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.401 HD22 HG13 ' A' ' 50' ' ' VAL . 2.5 mt -88.38 -35.11 17.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -59.49 -45.9 90.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -64.5 -59.53 4.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -48.89 -31.31 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.402 ' O ' ' N ' ' A' ' 29' ' ' GLN . 74.9 t-105 -77.97 -51.89 9.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.49 -18.25 65.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.061 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.1 -54.48 3.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.079 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -94.0 -45.49 7.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 25' ' ' TRP . 1.3 tp-100 74.26 34.41 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -166.09 137.09 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.736 HD13 ' CD2' ' A' ' 54' ' ' PHE . 43.6 tp -87.69 144.33 26.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.0 mmm-85 -129.56 132.74 46.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.463 ' HA ' HD12 ' A' ' 36' ' ' ILE . 55.5 mt-10 -49.53 -18.71 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.9 t -85.95 -30.92 22.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.459 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 1.5 m-20 -95.1 -7.41 39.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.528 HG22 ' N ' ' A' ' 37' ' ' PRO . 2.8 mt -63.42 -58.67 14.59 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.655 0.741 . . . . 0.0 111.118 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.528 ' N ' HG22 ' A' ' 36' ' ' ILE . 53.8 Cg_endo -69.81 -34.86 13.57 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.643 2.228 . . . . 0.0 112.349 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -68.46 -45.86 71.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 35' ' ' ASP . 56.1 mt -70.68 -42.42 70.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.6 t -55.05 -37.28 66.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -64.65 -34.08 77.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.12 -40.61 45.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.0 p -74.52 -7.14 52.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.797 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 63.55 28.09 15.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 23.8 mt -114.88 178.0 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.6 m -92.19 150.62 20.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.6 m -39.14 -43.07 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.196 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -65.71 -45.7 81.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.474 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 14.7 mm100 -47.11 -49.72 21.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.401 HG13 HD22 ' A' ' 21' ' ' LEU . 93.8 t -62.64 -45.89 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.1 mt -54.04 -35.12 61.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -78.17 -37.26 46.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.435 ' CZ2' HG22 ' A' ' 18' ' ' ILE . 25.2 t90 -56.82 -59.41 5.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.736 ' CD2' HD13 ' A' ' 31' ' ' LEU . 55.9 m-85 -60.68 -51.86 67.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -51.07 -29.3 12.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.9 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.796 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.23 0.123 0 CA-C-O 120.806 0.252 . . . . 0.0 112.301 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -103.74 112.29 25.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.1 mm -90.39 -14.78 8.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.571 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 8.8 mt-30 -56.49 -45.59 99.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.606 0.717 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.5 Cg_exo -48.04 -44.16 28.65 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.721 2.281 . . . . 0.0 112.345 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.517 HD22 HG13 ' A' ' 50' ' ' VAL . 4.1 mt -79.73 -51.13 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.574 ' HG2' ' CZ2' ' A' ' 53' ' ' TRP . 6.5 mm-40 -50.25 -50.93 48.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -59.8 -47.69 84.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -61.66 -35.75 78.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.419 ' O ' ' CA ' ' A' ' 29' ' ' GLN . 73.1 t-105 -64.14 -51.26 64.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.5 -19.91 60.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.43 -50.83 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -116.5 -42.01 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.419 ' CA ' ' O ' ' A' ' 25' ' ' TRP . 9.6 tt0 69.7 40.31 1.38 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -151.59 120.36 6.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.3 tp -88.5 130.6 35.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.971 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.413 ' H ' ' CG ' ' A' ' 35' ' ' ASP . 49.5 mtp180 -127.04 136.72 52.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.76 ' HA ' HD12 ' A' ' 36' ' ' ILE . 38.5 mt-10 -49.64 -23.56 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.0 t -80.2 -38.38 31.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.413 ' CG ' ' H ' ' A' ' 32' ' ' ARG . 10.3 p30 -88.42 -7.89 55.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.805 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.76 HD12 ' HA ' ' A' ' 33' ' ' GLU . 3.3 mt -63.27 -58.55 15.35 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.604 0.716 . . . . 0.0 111.105 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.2 Cg_endo -69.81 -30.57 21.82 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.626 2.217 . . . . 0.0 112.329 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -69.59 -42.09 74.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 42.5 mt -75.31 -43.45 50.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 t -55.16 -38.03 67.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -66.37 -27.71 68.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.73 -46.61 12.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.0 m -71.48 -0.92 11.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 60.64 35.68 19.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.776 HD22 HE21 ' A' ' 49' ' ' GLN . 18.1 mt -119.3 -179.57 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 p -96.44 155.69 16.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 m -48.05 -28.8 3.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -81.74 -43.74 17.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.776 HE21 HD22 ' A' ' 45' ' ' LEU . 6.5 mm100 -47.79 -54.72 11.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.517 HG13 HD22 ' A' ' 21' ' ' LEU . 73.3 t -58.36 -39.98 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.5 mt -58.84 -39.89 82.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -78.56 -30.62 46.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.855 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.574 ' CZ2' ' HG2' ' A' ' 22' ' ' GLU . 25.0 t90 -60.7 -51.5 69.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.472 ' HE1' HD22 ' A' ' 21' ' ' LEU . 13.4 m-85 -67.39 -42.24 83.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -44.53 -45.93 9.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.79 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.205 0 CA-C-O 120.809 0.254 . . . . 0.0 112.38 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.65 112.56 25.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.814 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.518 HG22 ' CZ2' ' A' ' 53' ' ' TRP . 3.4 mm -92.4 -18.87 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.572 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 7.2 mm-40 -50.36 -45.9 83.86 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.683 0.754 . . . . 0.0 110.933 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.5 Cg_exo -48.07 -45.57 24.92 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.642 2.228 . . . . 0.0 112.37 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.429 HD22 HG13 ' A' ' 50' ' ' VAL . 2.3 mt -81.68 -36.73 28.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -55.02 -47.04 75.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.807 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -67.26 -59.4 3.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -45.46 -34.54 3.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.479 ' CE2' ' HG3' ' A' ' 29' ' ' GLN . 71.1 t-105 -64.68 -56.78 11.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.96 -19.34 64.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.071 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.9 -56.49 4.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.088 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -117.77 -34.23 4.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.479 ' HG3' ' CE2' ' A' ' 25' ' ' TRP . 6.4 tt0 65.66 46.63 2.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.96 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -162.84 121.35 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.973 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.535 HD13 ' CE1' ' A' ' 54' ' ' PHE . 51.9 tp -83.44 137.74 33.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -123.21 132.94 54.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -46.46 -25.9 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.6 m -80.94 -33.32 34.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.111 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -90.01 -10.71 43.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.582 ' CG2' HG23 ' A' ' 47' ' ' THR . 2.4 mt -60.03 -58.74 17.2 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.674 0.749 . . . . 0.0 111.168 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.527 ' N ' HG22 ' A' ' 36' ' ' ILE . 53.4 Cg_endo -69.77 -29.97 22.97 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -73.0 -43.25 62.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.0 mt -75.74 -45.62 35.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.1 t -53.76 -37.35 63.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -65.99 -37.07 85.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.26 -41.69 56.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.512 ' HB2' HD12 ' A' ' 45' ' ' LEU . 1.4 m -71.96 -5.84 37.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 64.06 32.18 13.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.512 HD12 ' HB2' ' A' ' 43' ' ' SER . 4.4 mt -120.87 173.42 7.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.3 m -83.26 154.64 24.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.582 HG23 ' CG2' ' A' ' 36' ' ' ILE . 85.4 m -48.88 -31.46 7.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.184 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -79.59 -40.63 28.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -48.68 -49.93 35.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.429 HG13 HD22 ' A' ' 21' ' ' LEU . 57.1 t -61.27 -43.44 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.0 mt -55.61 -41.5 73.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -76.7 -30.72 56.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.518 ' CZ2' HG22 ' A' ' 18' ' ' ILE . 28.7 t90 -60.76 -55.69 30.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.535 ' CE1' HD13 ' A' ' 31' ' ' LEU . 42.3 m-85 -60.04 -57.33 13.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -46.13 -36.57 6.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 -179.708 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.766 0.236 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -119.26 117.88 29.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.414 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 2.3 mm -93.61 -19.33 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.591 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 9.4 mt-30 -53.24 -45.16 98.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.539 0.685 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 63.7 Cg_exo -48.01 -41.64 32.94 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.612 2.208 . . . . 0.0 112.434 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.572 HD22 ' HE1' ' A' ' 54' ' ' PHE . 3.0 mt -85.67 -52.48 5.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 53' ' ' TRP . 6.2 mm-40 -48.94 -41.15 32.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -68.1 -46.82 69.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -61.43 -36.97 81.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.452 ' CE2' ' HG3' ' A' ' 29' ' ' GLN . 76.6 t-105 -67.82 -48.57 65.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.002 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.76 -17.25 64.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.72 -56.8 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -102.02 -41.22 6.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.452 ' HG3' ' CE2' ' A' ' 25' ' ' TRP . 8.3 tt0 72.06 42.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -169.89 135.24 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.456 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 59.2 tp -91.34 155.66 18.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -143.19 136.2 27.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.432 ' HA ' HD12 ' A' ' 36' ' ' ILE . 38.9 mt-10 -46.87 -28.59 1.63 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 t -77.72 -36.09 51.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.199 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.8 -10.27 48.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.538 HD11 HD21 ' A' ' 51' ' ' LEU . 2.5 mt -59.2 -58.23 21.08 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.606 0.717 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.1 Cg_endo -69.88 -31.0 20.83 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.673 2.249 . . . . 0.0 112.332 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -69.06 -37.6 78.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.6 mt -79.13 -46.17 18.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -52.27 -23.38 5.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.47 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 2.6 pt20 -74.17 -46.8 39.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.47 ' N ' ' CG ' ' A' ' 41' ' ' GLN . . . -72.71 -38.12 67.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.0 p -71.99 -14.77 61.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 66.21 30.84 9.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.431 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 15.7 mt -120.68 175.44 6.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -84.3 173.69 10.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.41 -37.46 85.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.2 tp60 -73.54 -36.67 65.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.431 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 14.0 mm100 -54.81 -50.21 69.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.89 -45.36 99.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.538 HD21 HD11 ' A' ' 36' ' ' ILE . 17.2 mt -57.68 -31.1 66.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -81.05 -34.08 33.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.824 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.563 ' CZ2' ' HG2' ' A' ' 22' ' ' GLU . 26.8 t90 -60.55 -58.26 9.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.572 ' HE1' HD22 ' A' ' 21' ' ' LEU . 14.3 m-85 -58.19 -43.18 87.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -46.54 -40.74 13.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.814 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -179.726 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.83 0.262 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 43' ' ' SER . 33.3 t0 -107.21 116.95 32.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.545 ' CG2' ' NE1' ' A' ' 53' ' ' TRP . 5.0 mm -92.87 -11.44 9.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.569 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 5.1 mm-40 -54.05 -45.57 98.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.583 0.706 . . . . 0.0 110.942 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 64.3 Cg_exo -47.99 -40.66 33.31 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.718 2.279 . . . . 0.0 112.379 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.435 HD22 ' HE1' ' A' ' 54' ' ' PHE . 3.2 mt -85.82 -33.77 21.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -58.97 -46.61 87.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -66.14 -59.25 3.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -48.76 -33.47 10.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.536 ' CD1' ' NE2' ' A' ' 29' ' ' GLN . 76.4 t-105 -75.92 -49.96 16.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.24 -18.52 64.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.82 -54.08 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -93.21 -46.5 7.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.536 ' NE2' ' CD1' ' A' ' 25' ' ' TRP . 0.9 OUTLIER 72.9 27.07 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -150.41 151.3 32.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.665 HD13 ' CD1' ' A' ' 54' ' ' PHE . 33.9 tp -109.69 146.77 34.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.404 ' H ' ' CG ' ' A' ' 35' ' ' ASP . 30.2 mtt180 -138.52 131.75 30.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.594 ' HA ' HD12 ' A' ' 36' ' ' ILE . 7.0 mm-40 -45.97 -25.04 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.6 m -78.53 -37.35 43.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.404 ' CG ' ' H ' ' A' ' 32' ' ' ARG . 15.1 p30 -87.11 -11.69 49.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 33' ' ' GLU . 2.9 mt -59.07 -58.68 17.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.639 0.733 . . . . 0.0 111.153 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.53 ' N ' HG22 ' A' ' 36' ' ' ILE . 54.5 Cg_endo -69.78 -37.76 8.68 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.696 2.264 . . . . 0.0 112.409 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -63.77 -44.39 93.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.3 mt -71.71 -45.18 62.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 t -51.13 -39.15 55.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -67.74 -30.29 69.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.86 -42.61 57.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.499 ' OG ' HD12 ' A' ' 45' ' ' LEU . 87.9 p -82.81 0.25 44.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.89 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? 60.89 32.83 20.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.602 HD22 HE21 ' A' ' 49' ' ' GLN . 16.6 mt -111.72 -177.42 3.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.4 p -95.45 160.73 14.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.9 m -52.6 -30.02 28.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -80.78 -42.11 22.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.602 HE21 HD22 ' A' ' 45' ' ' LEU . 6.8 mm100 -48.75 -54.53 14.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.4 t -58.91 -40.61 80.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 mt -57.54 -41.51 81.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -73.53 -30.9 63.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.545 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 3.5 t90 -62.09 -53.61 53.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.665 ' CD1' HD13 ' A' ' 31' ' ' LEU . 41.5 m-85 -67.39 -42.97 82.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -62.34 -36.98 83.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.1 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.757 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.74 0.225 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -103.08 114.72 29.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.422 HG21 ' HE1' ' A' ' 53' ' ' TRP . 5.4 mm -92.82 -9.18 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.58 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 14.3 mt-30 -55.37 -45.61 99.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.602 0.715 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.3 Cg_exo -47.97 -42.72 31.48 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.389 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.571 HD22 ' HE1' ' A' ' 54' ' ' PHE . 4.0 mt -82.9 -35.64 25.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -57.27 -48.54 78.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.5 mmt-85 -68.96 -55.54 10.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.55 ' CE1' ' CE1' ' A' ' 28' ' ' HIS . 53.6 t80 -47.65 -33.71 7.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 77.6 t-105 -77.22 -50.12 13.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.89 -18.98 65.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.071 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.54 -54.64 2.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.073 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.55 ' CE1' ' CE1' ' A' ' 24' ' ' TYR . 6.8 m-70 -86.52 -47.58 9.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 71.47 38.2 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -172.14 157.08 4.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 32' ' ' ARG . 19.2 tp -113.56 152.62 30.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.405 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 73.8 mtp180 -141.81 138.68 32.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -50.27 -24.97 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.2 p -81.01 -32.7 34.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.165 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.88 -11.15 42.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.552 ' CG2' HG23 ' A' ' 47' ' ' THR . 2.3 mt -59.27 -58.7 17.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.655 0.74 . . . . 0.0 111.156 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.536 ' N ' HG22 ' A' ' 36' ' ' ILE . 53.5 Cg_endo -69.8 -34.91 13.5 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.577 2.185 . . . . 0.0 112.376 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -66.54 -41.11 89.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.6 mt -75.88 -46.4 30.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 t -53.36 -35.96 60.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -69.19 -30.16 68.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.964 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.19 -52.57 10.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.551 ' OG ' HD12 ' A' ' 45' ' ' LEU . 85.7 p -71.78 0.84 7.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 59.83 26.7 15.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.551 HD12 ' OG ' ' A' ' 43' ' ' SER . 16.8 mt -105.78 176.28 5.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.5 p -85.25 153.48 22.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.552 HG23 ' CG2' ' A' ' 36' ' ' ILE . 42.6 m -51.42 -26.26 7.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.0 tp60 -82.63 -36.99 25.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.969 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -53.45 -53.76 46.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 72.1 t -57.48 -38.2 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.4 HD21 HD11 ' A' ' 36' ' ' ILE . 10.6 mt -58.74 -42.01 87.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -74.03 -31.45 62.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.422 ' HE1' HG21 ' A' ' 18' ' ' ILE . 3.1 t90 -59.21 -60.59 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.571 ' HE1' HD22 ' A' ' 21' ' ' LEU . 36.6 m-85 -62.78 -47.7 82.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -52.14 -40.85 61.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.8 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.807 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.761 0.234 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -105.9 105.93 16.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.427 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 5.6 mm -88.95 -20.45 7.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.579 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 25.5 mt-30 -49.45 -46.29 78.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.631 0.729 . . . . 0.0 110.94 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.5 Cg_exo -48.0 -46.14 22.94 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.519 HD22 HG13 ' A' ' 50' ' ' VAL . 2.7 mt -78.89 -38.81 36.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.454 ' HG2' ' CH2' ' A' ' 53' ' ' TRP . 14.1 mt-10 -54.05 -49.27 69.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -70.86 -48.01 56.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.426 ' CZ ' ' OD2' ' A' ' 35' ' ' ASP . 46.2 t80 -55.96 -37.05 68.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -62.65 -58.2 8.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.933 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.68 -4.6 35.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.94 -56.61 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -104.54 -31.95 9.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 60.85 44.28 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -171.71 119.8 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.499 HD21 HG12 ' A' ' 36' ' ' ILE . 58.2 tp -90.06 129.91 36.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.93 138.09 51.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.523 ' HA ' HD12 ' A' ' 36' ' ' ILE . 18.0 tt0 -51.4 -25.51 6.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.0 t -80.97 -30.28 35.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.071 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.493 ' OD2' ' CD1' ' A' ' 39' ' ' LEU . 2.5 t70 -94.89 -14.79 24.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' A' ' 33' ' ' GLU . 3.0 mt -54.94 -58.72 13.23 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.669 0.747 . . . . 0.0 111.177 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.523 ' N ' HG22 ' A' ' 36' ' ' ILE . 54.7 Cg_endo -69.69 -23.17 31.4 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.752 2.302 . . . . 0.0 112.389 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -75.82 -41.93 51.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.493 ' CD1' ' OD2' ' A' ' 35' ' ' ASP . 38.0 mt -76.15 -44.6 37.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 t -54.24 -41.02 68.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -61.83 -32.83 73.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.1 -36.25 30.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.053 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.0 m -78.71 -4.08 47.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 63.61 28.93 15.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.449 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 18.9 mt -116.84 171.23 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 p -84.82 156.0 21.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.409 HG23 ' CG2' ' A' ' 36' ' ' ILE . 5.4 m -52.57 -22.86 5.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.167 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -85.39 -32.3 22.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.449 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 15.2 mm100 -60.25 -52.02 67.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.519 HG13 HD22 ' A' ' 21' ' ' LEU . 70.5 t -59.84 -38.27 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.8 mt -60.05 -40.27 88.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -77.59 -35.31 53.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.454 ' CH2' ' HG2' ' A' ' 22' ' ' GLU . 6.6 t90 -55.52 -52.66 62.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -66.83 -50.2 63.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -49.88 -41.96 46.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.5 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.832 -179.771 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.745 0.227 . . . . 0.0 112.404 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 43' ' ' SER . 42.6 t0 -117.29 114.98 24.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mm -90.79 -13.18 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.578 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 20.9 mt-30 -53.71 -45.72 98.64 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 0.0 110.928 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 66.2 Cg_exo -48.02 -43.87 29.29 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.641 2.227 . . . . 0.0 112.35 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.542 HD22 ' HE1' ' A' ' 54' ' ' PHE . 3.2 mt -81.65 -36.94 28.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -56.06 -48.57 75.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.9 mmm-85 -69.61 -51.44 35.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.516 ' CG ' HD11 ' A' ' 39' ' ' LEU . 47.0 t80 -51.81 -34.99 42.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.518 ' CD1' ' NE2' ' A' ' 29' ' ' GLN . 74.7 t-105 -71.21 -51.36 25.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.95 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.12 -19.07 64.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.49 -57.88 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.037 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -92.36 -45.95 7.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.518 ' NE2' ' CD1' ' A' ' 25' ' ' TRP . 1.1 tp60 69.16 39.22 1.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -171.3 121.07 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.455 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 39.4 tp -77.63 144.58 37.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -140.86 131.64 25.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.876 ' HA ' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -43.12 -27.37 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.0 m -74.97 -44.1 50.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.33 -6.72 54.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.876 HD12 ' HA ' ' A' ' 33' ' ' GLU . 4.0 mt -62.87 -58.11 18.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.58 0.705 . . . . 0.0 111.123 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.5 Cg_endo -69.7 -38.93 7.25 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.664 2.243 . . . . 0.0 112.334 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -59.52 -41.63 90.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.516 HD11 ' CG ' ' A' ' 24' ' ' TYR . 51.0 mt -74.42 -38.88 62.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.8 t -56.11 -37.07 68.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -67.68 -34.3 76.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.27 -50.57 45.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 38.4 t -76.58 1.19 17.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 58.79 38.26 24.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 35.7 mt -116.62 173.47 6.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 49' ' ' GLN . 3.5 p -86.99 149.61 24.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 m -43.89 -33.54 1.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.157 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -76.55 -35.43 58.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.469 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 24.5 mm100 -55.38 -51.14 67.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.2 -39.68 83.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.4 mt -58.14 -39.41 78.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -76.65 -30.99 57.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -61.77 -55.09 33.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.542 ' HE1' HD22 ' A' ' 21' ' ' LEU . 22.9 m-85 -63.78 -48.81 75.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -49.54 -38.83 32.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.8 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.764 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.212 0 CA-C-O 120.837 0.265 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.418 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 3.3 m-20 -115.43 110.47 19.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.431 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 3.9 mm -88.56 -22.15 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.57 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 3.9 mt-30 -50.83 -45.7 86.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.64 0.734 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.2 Cg_exo -47.99 -44.69 27.12 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.757 2.305 . . . . 0.0 112.332 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.528 HD23 ' HB3' ' A' ' 39' ' ' LEU . 2.1 mt -82.26 -35.5 28.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -57.31 -49.5 75.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.815 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -65.44 -56.68 11.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -49.27 -35.05 16.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.563 ' CD1' ' NE2' ' A' ' 29' ' ' GLN . 75.3 t-105 -72.85 -50.92 21.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.85 -14.14 62.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.092 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.2 -57.95 2.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -92.6 -39.05 11.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.563 ' NE2' ' CD1' ' A' ' 25' ' ' TRP . 0.8 OUTLIER 63.21 43.41 6.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -174.56 130.66 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.411 ' CD2' HD23 ' A' ' 51' ' ' LEU . 53.0 tp -85.24 152.89 22.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -142.58 137.15 29.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.507 ' HA ' HD12 ' A' ' 36' ' ' ILE . 22.1 tt0 -50.62 -23.42 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.1 t -82.62 -32.55 28.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.76 -13.86 33.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.529 HG22 ' N ' ' A' ' 37' ' ' PRO . 2.9 mt -55.41 -58.67 14.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.677 0.751 . . . . 0.0 111.127 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.529 ' N ' HG22 ' A' ' 36' ' ' ILE . 53.0 Cg_endo -69.8 -26.11 27.73 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.628 2.219 . . . . 0.0 112.342 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -74.23 -39.53 63.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.528 ' HB3' HD23 ' A' ' 21' ' ' LEU . 54.0 mt -77.42 -50.06 13.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.39 -22.26 4.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.506 ' C ' ' CD ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -72.89 -44.43 61.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.441 ' N ' ' CG ' ' A' ' 41' ' ' GLN . . . -75.59 -37.22 60.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.101 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.0 p -75.42 -12.16 60.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.84 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 56.8 33.28 22.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.1 mt -111.79 -176.17 2.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.404 ' C ' ' N ' ' A' ' 48' ' ' GLN . 80.8 p -88.32 142.7 27.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.8 m -44.31 -22.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.063 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.404 ' N ' ' C ' ' A' ' 46' ' ' SER . 33.9 tp60 -85.51 -45.76 11.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -46.34 -55.14 7.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.52 HG13 HD22 ' A' ' 21' ' ' LEU . 74.6 t -55.43 -42.53 67.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.461 HD21 HD11 ' A' ' 36' ' ' ILE . 12.4 mt -57.07 -38.68 73.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -79.17 -34.4 43.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 20.7 t90 -56.58 -50.36 72.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.516 ' HE1' HD22 ' A' ' 21' ' ' LEU . 14.7 m-85 -66.3 -43.28 86.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -56.22 -41.01 74.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.807 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.816 0.257 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -105.51 114.45 28.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.449 ' CG2' ' NE1' ' A' ' 53' ' ' TRP . 4.3 mm -91.12 -10.99 9.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.154 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.576 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 3.1 mt-30 -52.95 -45.7 97.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.662 0.744 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 66.0 Cg_exo -48.07 -44.85 27.05 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.425 HD22 ' HE1' ' A' ' 54' ' ' PHE . 3.1 mt -81.4 -35.73 30.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -56.37 -48.39 76.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -68.13 -55.76 11.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -48.4 -32.64 7.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -73.69 -50.68 19.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.51 -7.66 48.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.09 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.87 -57.02 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -93.44 -40.27 10.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 68.26 40.64 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -170.11 166.15 9.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.957 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.7 tp -118.78 145.92 45.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -137.76 132.77 33.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -48.73 -21.31 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.3 p -82.08 -35.35 28.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -89.22 -9.25 51.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.537 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.7 mt -60.98 -57.94 22.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.578 0.704 . . . . 0.0 111.169 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 52.8 Cg_endo -69.79 -34.64 14.08 Favored 'Trans proline' 0 C--O 1.23 0.111 0 C-N-CA 122.75 2.3 . . . . 0.0 112.254 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -68.12 -44.77 75.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 42' ' ' ALA . 59.6 mt -70.14 -50.0 44.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.2 t -45.44 -38.8 6.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -68.27 -31.81 71.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 39' ' ' LEU . . . -74.85 -40.29 61.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.475 ' HB2' HD12 ' A' ' 45' ' ' LEU . 1.3 m -83.76 -5.1 59.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 60.8 35.35 19.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.475 HD12 ' HB2' ' A' ' 43' ' ' SER . 10.0 mt -115.64 -177.91 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 p -92.26 151.21 20.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 m -45.07 -34.68 2.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.194 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -76.28 -38.94 55.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.412 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 26.1 mm100 -51.28 -53.48 35.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.403 HG13 HD22 ' A' ' 21' ' ' LEU . 79.3 t -58.82 -44.36 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.0 mt -53.84 -43.06 69.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -71.38 -33.55 69.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.449 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 2.5 t90 -57.92 -59.43 5.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.425 ' HE1' HD22 ' A' ' 21' ' ' LEU . 71.9 m-85 -63.21 -37.19 86.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.833 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -60.67 -31.74 70.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.756 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.6 p -164.78 160.18 19.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.933 0.396 . . . . 0.0 110.782 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 m -138.96 173.48 11.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.17 141.45 11.29 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 t -171.83 143.13 1.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.835 0.35 . . . . 0.0 110.856 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 7' ' ' GLY . 19.3 t -153.88 153.8 32.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 33.9 -96.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.42 ' N ' ' O ' ' A' ' 6' ' ' SER . 54.3 Cg_endo -69.72 108.3 2.04 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.689 2.259 . . . . 0.0 112.425 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 mp -72.61 143.68 85.24 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.58 0.705 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.1 19.7 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.739 2.293 . . . . 0.0 112.368 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.3 pt -45.58 152.54 0.68 Allowed Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.667 0.746 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 148.54 65.25 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.692 2.261 . . . . 0.0 112.38 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 152.95 69.81 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 167.62 23.85 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.706 2.271 . . . . 0.0 112.379 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 149.48 67.49 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.722 2.282 . . . . 0.0 112.345 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 168.69 20.83 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.707 2.271 . . . . 0.0 112.365 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -111.43 115.64 29.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.487 ' CG2' ' NE1' ' A' ' 53' ' ' TRP . 4.2 mm -90.93 -11.75 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.58 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 14.3 mt-30 -51.66 -45.68 91.38 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.609 0.719 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.4 Cg_exo -47.91 -48.8 15.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.736 2.291 . . . . 0.0 112.374 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.629 HD22 ' HE1' ' A' ' 54' ' ' PHE . 2.9 mt -78.16 -34.91 49.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -57.25 -48.99 77.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -69.47 -51.05 39.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -54.59 -41.08 69.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.539 ' CE2' ' OE1' ' A' ' 29' ' ' GLN . 53.5 t-105 -57.7 -61.45 2.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.3 -22.24 66.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.16 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.13 -57.16 5.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.053 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -112.5 -39.96 4.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.539 ' OE1' ' CE2' ' A' ' 25' ' ' TRP . 1.1 tp-100 70.77 35.11 1.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -146.57 119.24 8.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.473 HD11 HG12 ' A' ' 36' ' ' ILE . 48.8 tp -88.95 130.38 35.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -125.08 142.97 51.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.827 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -53.07 -25.37 12.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -80.34 -35.0 36.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.98 -9.9 52.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.527 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.3 mt -63.33 -58.47 15.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 0.0 111.107 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.8 Cg_endo -69.67 -33.13 17.57 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.676 2.251 . . . . 0.0 112.379 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -68.25 -42.35 79.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.7 mt -73.56 -47.03 43.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 t -49.63 -40.3 38.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -62.66 -34.41 77.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.65 -52.15 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.4 m -73.09 0.34 11.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.4 mtt85 53.48 47.04 24.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.6 mt -123.19 179.2 4.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 49' ' ' GLN . 5.1 m -91.6 145.1 24.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -41.34 -34.96 0.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.15 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -73.85 -35.14 64.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 46' ' ' SER . 13.9 mm100 -57.6 -52.13 66.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 84.3 t -60.07 -42.37 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.4 mt -57.31 -42.95 82.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -74.0 -33.87 63.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.487 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 3.1 t90 -57.38 -58.7 7.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.629 ' HE1' HD22 ' A' ' 21' ' ' LEU . 49.4 m-85 -64.51 -50.85 65.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.658 ' HA ' HD12 ' A' ' 58' ' ' LEU . 12.3 t70 -48.09 -43.15 30.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.6 t -69.28 -34.93 75.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -67.44 -44.42 78.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.658 HD12 ' HA ' ' A' ' 55' ' ' ASP . 18.7 mt -44.94 155.83 0.39 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.654 0.74 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 108.1 2.0 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.735 2.29 . . . . 0.0 112.343 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -79.62 152.37 75.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.577 0.703 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 105.88 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.745 2.297 . . . . 0.0 112.337 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -172.76 168.22 5.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.078 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.438 ' CD ' ' O ' ' A' ' 63' ' ' GLU . 2.6 pp20? -77.87 121.46 24.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.4 t -131.7 148.25 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.186 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.6 p -50.59 -71.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 154.84 83.84 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 129.29 17.31 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.294 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 85.0 p -77.46 118.51 19.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.6 t -116.18 -42.32 3.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -135.52 132.42 37.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 m -91.89 174.78 7.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.66 63.9 2.04 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 m -146.57 171.08 15.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.87 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.7 p -76.04 92.95 3.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.803 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.45 -95.18 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -177.61 1.93 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.704 2.269 . . . . 0.0 112.294 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.565 ' H ' HD12 ' A' ' 9' ' ' LEU . 6.1 mp -56.06 144.24 59.84 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.641 0.734 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 175.46 8.04 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.695 2.264 . . . . 0.0 112.367 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.1 pt -41.96 147.35 0.54 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.609 0.718 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 156.58 62.9 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.621 2.214 . . . . 0.0 112.325 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 159.86 51.79 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.692 2.262 . . . . 0.0 112.364 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 151.03 69.21 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.73 2.287 . . . . 0.0 112.318 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 110.29 2.52 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.726 2.284 . . . . 0.0 112.322 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.84 48.22 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.734 2.289 . . . . 0.0 112.335 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -106.41 113.5 27.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.451 ' CG2' ' NE1' ' A' ' 53' ' ' TRP . 4.4 mm -91.71 -11.75 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.581 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 9.7 mt-30 -53.94 -45.72 98.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.597 0.713 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.7 Cg_exo -47.9 -45.83 23.53 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.731 2.287 . . . . 0.0 112.308 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.486 HD22 ' HE1' ' A' ' 54' ' ' PHE . 3.5 mt -80.07 -36.26 35.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -55.69 -50.71 69.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -64.58 -54.24 35.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -47.89 -39.93 20.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.492 ' CE2' ' HG3' ' A' ' 29' ' ' GLN . 74.1 t-105 -63.78 -58.45 6.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.26 -10.13 56.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.74 -48.9 7.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -123.85 -35.06 2.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.807 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.492 ' HG3' ' CE2' ' A' ' 25' ' ' TRP . 10.0 tt0 66.05 42.43 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -159.68 119.57 2.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.479 HD21 HG12 ' A' ' 36' ' ' ILE . 50.8 tp -82.17 142.27 32.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -125.83 131.31 52.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.576 ' HA ' HD12 ' A' ' 36' ' ' ILE . 4.1 mp0 -47.55 -26.1 1.33 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.493 HG23 ' OD1' ' A' ' 35' ' ' ASP . 10.0 t -81.63 -30.37 32.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.493 ' OD1' HG23 ' A' ' 34' ' ' THR . 1.7 m-20 -93.96 -10.06 34.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 33' ' ' GLU . 3.0 mt -59.71 -58.63 17.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.727 . . . . 0.0 111.198 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.6 Cg_endo -69.8 -27.85 25.77 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -73.18 -44.32 60.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 36.2 mt -73.5 -38.01 65.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.5 t -58.92 -37.9 77.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -71.32 -30.39 66.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.88 -41.88 35.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.7 m -77.7 -1.42 31.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 63.67 36.56 10.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.425 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 11.3 mt -125.9 177.24 6.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -91.69 173.4 7.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -36.44 79.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.194 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -72.83 -38.0 67.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.97 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.425 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 29.3 mm-40 -56.49 -48.38 77.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.41 HG13 HD22 ' A' ' 21' ' ' LEU . 70.5 t -65.78 -39.8 85.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.39 -45.55 93.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -70.58 -34.78 72.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.451 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 9.2 t90 -57.27 -59.49 5.04 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.486 ' HE1' HD22 ' A' ' 21' ' ' LEU . 29.7 m-85 -58.62 -51.95 67.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -52.37 -37.45 56.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.0 t -70.02 -35.93 74.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.416 ' HG3' ' CZ3' ' A' ' 53' ' ' TRP . 13.6 mmm180 -59.68 -41.7 91.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' ARG . 38.2 mt -36.51 147.09 0.2 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.567 0.698 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 92.97 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -130.26 144.15 52.06 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.589 0.709 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 107.94 1.98 Allowed 'Trans proline' 0 N--CA 1.466 -0.12 0 C-N-CA 122.752 2.301 . . . . 0.0 112.318 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.46 173.56 11.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -143.11 147.07 34.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.7 m -73.66 153.69 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.6 p -168.69 174.68 6.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.819 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -119.28 72.26 0.32 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 172.17 13.2 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.2 t -157.3 118.28 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.1 p -133.08 155.98 48.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.498 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -99.68 -52.31 3.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.818 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 p -67.63 88.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.27 171.23 27.13 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 m -95.98 -60.99 1.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 110.835 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.6 p -145.24 155.1 43.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.909 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.78 -166.85 28.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 176.75 6.39 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.3 mt -89.93 148.98 40.92 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.612 0.72 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 177.37 5.63 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.75 2.3 . . . . 0.0 112.32 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.3 pt -42.77 150.8 0.42 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.73 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.453 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 53.8 Cg_endo -69.69 110.3 2.51 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.683 2.256 . . . . 0.0 112.366 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.453 ' HD2' ' HA ' ' A' ' 12' ' ' PRO . 53.6 Cg_endo -69.74 157.38 60.62 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 165.54 30.59 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.724 2.282 . . . . 0.0 112.37 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 149.0 66.69 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.642 2.228 . . . . 0.0 112.329 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 169.96 17.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.258 . . . . 0.0 112.307 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -104.85 103.52 13.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.423 ' CG2' ' NE1' ' A' ' 53' ' ' TRP . 5.9 mm -89.89 -19.94 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.087 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.582 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 20.7 mt-30 -51.18 -45.58 89.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.597 0.713 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.5 Cg_exo -48.05 -46.32 22.54 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.656 2.238 . . . . 0.0 112.33 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.504 HD22 ' HE1' ' A' ' 54' ' ' PHE . 2.3 mt -78.66 -39.18 37.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -53.86 -49.55 68.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -67.3 -53.75 26.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -52.36 -37.39 56.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.43 ' O ' ' CD ' ' A' ' 29' ' ' GLN . 68.8 t-105 -68.09 -54.51 17.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.434 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . . . -69.39 -4.52 18.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.73 -57.69 2.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -100.35 -36.37 9.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.434 ' NE2' ' HA ' ' A' ' 26' ' ' ALA . 10.4 mp0 63.18 47.82 3.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -174.48 120.13 0.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.1 tp -81.81 144.12 31.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.6 mtp85 -129.97 136.52 49.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.429 ' HA ' HD12 ' A' ' 36' ' ' ILE . 7.9 mt-10 -48.38 -27.05 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.3 t -78.63 -36.25 44.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.46 -13.72 42.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.536 HG22 ' N ' ' A' ' 37' ' ' PRO . 2.4 mt -55.28 -58.78 13.36 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.733 0.778 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.536 ' N ' HG22 ' A' ' 36' ' ' ILE . 53.5 Cg_endo -69.77 -34.55 14.32 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.606 2.204 . . . . 0.0 112.341 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -65.68 -43.74 88.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 44.2 mt -73.27 -44.73 58.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.0 t -51.3 -39.83 57.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.45 ' HA ' ' NE2' ' A' ' 41' ' ' GLN . 6.4 mm-40 -61.61 -40.45 94.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.63 -40.5 73.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.0 p -81.1 -7.1 59.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? 57.25 33.09 22.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.444 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 48.6 mt -111.76 177.13 4.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 49' ' ' GLN . 12.2 p -86.21 146.4 26.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.794 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 m -41.54 -35.81 0.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.163 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -74.56 -40.02 61.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.444 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 12.3 mm100 -49.63 -52.33 31.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.405 HG13 HD22 ' A' ' 21' ' ' LEU . 79.9 t -59.45 -41.01 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.9 mt -57.29 -44.4 84.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -70.77 -40.83 72.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.423 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 8.4 t90 -52.53 -56.5 14.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.504 ' HE1' HD22 ' A' ' 21' ' ' LEU . 18.7 m-85 -64.14 -53.46 49.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.819 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.443 ' OD2' ' NE2' ' A' ' 60' ' ' GLN . 21.0 t70 -50.15 -40.07 45.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.2 t -68.08 -33.1 73.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -68.33 -47.87 66.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.521 ' C ' HD12 ' A' ' 58' ' ' LEU . 1.2 pp -73.12 150.67 90.09 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.566 0.698 . . . . 0.0 110.94 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.418 ' C ' HD12 ' A' ' 58' ' ' LEU . 53.2 Cg_endo -69.77 93.5 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.443 ' NE2' ' OD2' ' A' ' 55' ' ' ASP . 1.5 tt0 -98.5 139.34 21.08 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.634 0.731 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 90.43 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.718 2.279 . . . . 0.0 112.325 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -164.12 171.39 15.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.069 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -63.13 155.01 29.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.445 ' O ' ' C ' ' A' ' 65' ' ' SER . 95.5 t -132.48 113.32 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 64' ' ' VAL . 30.0 t -34.67 -56.55 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.23 146.33 4.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 -36.69 10.56 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 112.374 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.5 m -155.68 133.18 11.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.5 p -58.41 134.57 56.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.546 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.9 p -169.88 168.81 8.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.911 0.386 . . . . 0.0 110.852 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 p -161.18 176.1 11.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.14 148.64 17.09 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m -116.58 152.58 33.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 0.0 110.849 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.4 p -142.16 107.44 5.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.49 -159.74 27.8 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 89.97 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.638 2.225 . . . . 0.0 112.361 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 mt -38.89 144.46 0.42 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.604 0.716 . . . . 0.0 110.968 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -175.19 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.67 2.246 . . . . 0.0 112.329 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.4 pt -66.98 150.45 97.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.603 0.716 . . . . 0.0 111.168 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.66 40.87 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.617 2.211 . . . . 0.0 112.364 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.66 169.65 18.29 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 0.0 112.387 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 167.29 24.74 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 110.29 2.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.368 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 164.47 34.43 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.338 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.42 108.13 19.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.419 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 9.4 mm -89.62 -18.78 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.584 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 27.8 mm-40 -51.16 -45.91 88.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.0 Cg_exo -47.86 -44.42 27.17 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.713 2.275 . . . . 0.0 112.381 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.423 HD22 HG13 ' A' ' 50' ' ' VAL . 3.4 mt -79.9 -39.19 30.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' HG2' ' CH2' ' A' ' 53' ' ' TRP . 11.5 mt-10 -54.6 -49.54 70.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -68.93 -52.52 28.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.612 ' CD2' HD11 ' A' ' 39' ' ' LEU . 59.3 t80 -50.98 -34.86 30.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 53.8 t-105 -63.88 -54.99 26.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.55 -3.2 39.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.22 -57.95 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -99.83 -31.32 11.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 57.72 40.34 26.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -171.93 118.85 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.963 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.6 tp -92.36 138.13 31.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.441 ' HG3' HG22 ' A' ' 34' ' ' THR . 8.0 ptp180 -127.1 149.01 50.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.419 ' HA ' HD12 ' A' ' 36' ' ' ILE . 25.1 mt-10 -55.18 -23.57 22.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.441 HG22 ' HG3' ' A' ' 32' ' ' ARG . 12.3 t -79.23 -32.76 43.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.499 ' OD2' ' CZ ' ' A' ' 24' ' ' TYR . 3.7 t70 -94.84 -11.5 28.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.814 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.521 HG22 ' N ' ' A' ' 37' ' ' PRO . 2.6 mt -58.21 -58.7 16.95 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.598 0.713 . . . . 0.0 111.14 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.521 ' N ' HG22 ' A' ' 36' ' ' ILE . 54.2 Cg_endo -69.83 -24.19 29.65 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.632 2.221 . . . . 0.0 112.401 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -74.81 -44.62 48.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.612 HD11 ' CD2' ' A' ' 24' ' ' TYR . 31.7 mt -70.34 -48.99 53.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -50.24 -44.98 53.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -59.55 -30.83 68.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.956 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.66 -41.07 19.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.6 m -77.49 -6.41 53.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 62.86 37.5 12.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.0 mt -121.89 174.05 7.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.5 m -85.74 144.99 27.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.4 m -38.46 -37.21 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.9 tp60 -69.79 -48.38 59.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -43.62 -53.01 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.423 HG13 HD22 ' A' ' 21' ' ' LEU . 96.8 t -57.62 -43.66 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.8 mt -56.13 -48.95 75.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -68.17 -40.83 82.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.802 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.434 ' CH2' ' HG2' ' A' ' 22' ' ' GLU . 3.0 t90 -52.67 -57.67 9.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -68.36 -37.45 80.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.22 -43.04 78.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -64.82 -36.11 83.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? -67.34 -47.76 69.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.787 ' O ' HD12 ' A' ' 58' ' ' LEU . 4.3 pp -75.38 140.17 72.24 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.645 0.736 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 175.48 8.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.727 2.285 . . . . 0.0 112.267 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -138.07 150.32 66.78 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.634 0.73 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 163.33 38.6 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.734 2.29 . . . . 0.0 112.404 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -167.0 169.4 12.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.129 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -113.64 41.16 2.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.7 m -103.25 144.86 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.4 m -46.85 121.09 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -51.53 146.68 11.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.462 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 179.73 3.5 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.71 2.273 . . . . 0.0 112.276 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -84.24 80.56 9.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.7 p -77.46 102.31 6.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.808 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.456 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -160.48 128.07 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.387 . . . . 0.0 110.827 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.5 p -131.19 175.63 8.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.11 171.65 35.05 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.457 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -139.32 123.33 17.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 110.842 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 m -86.95 125.35 34.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.34 -159.62 10.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 128.83 16.61 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.747 2.298 . . . . 0.0 112.361 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -40.23 147.29 0.37 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.591 0.71 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -174.35 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.413 ' C ' HD12 ' A' ' 11' ' ' ILE . 2.7 pp -69.59 150.15 96.86 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.653 0.739 . . . . 0.0 111.069 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.477 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 53.9 Cg_endo -69.81 110.38 2.55 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.294 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.477 ' HD2' ' HA ' ' A' ' 12' ' ' PRO . 53.7 Cg_endo -69.84 169.63 18.55 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.602 2.201 . . . . 0.0 112.365 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 168.64 21.1 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.647 2.231 . . . . 0.0 112.278 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.464 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 54.0 Cg_endo -69.76 110.31 2.52 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.373 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' A' ' 15' ' ' PRO . 53.6 Cg_endo -69.72 176.82 6.24 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.734 2.29 . . . . 0.0 112.329 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.42 ' CG ' ' HA ' ' A' ' 43' ' ' SER . 1.2 p-10 -122.5 113.03 18.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.449 HG21 ' HE1' ' A' ' 53' ' ' TRP . 4.5 mm -90.71 -13.3 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.588 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 8.9 mt-30 -51.13 -45.61 88.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 66.1 Cg_exo -48.0 -47.9 17.83 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.329 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.413 HD22 ' HE1' ' A' ' 54' ' ' PHE . 2.3 mt -77.15 -37.52 53.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -56.42 -48.36 77.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.6 mtm180 -73.81 -51.08 17.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.457 ' CD2' HD11 ' A' ' 39' ' ' LEU . 86.1 t80 -53.15 -40.95 64.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.963 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -55.41 -53.92 50.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.89 -7.92 56.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.65 -54.5 4.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -107.1 -35.95 6.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 63.05 46.78 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -174.05 120.39 0.28 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.553 HD11 HG12 ' A' ' 36' ' ' ILE . 49.2 tp -80.98 133.31 35.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.941 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -124.89 136.84 54.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.432 ' HA ' HD12 ' A' ' 36' ' ' ILE . 7.2 mp0 -48.68 -26.94 2.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 77.5 p -77.33 -37.53 52.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.13 -14.73 40.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.553 HG12 HD11 ' A' ' 31' ' ' LEU . 2.4 mt -54.61 -58.65 13.21 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.607 0.717 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.537 ' N ' HG22 ' A' ' 36' ' ' ILE . 52.8 Cg_endo -69.81 -34.62 14.07 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.727 2.285 . . . . 0.0 112.284 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -65.24 -41.76 94.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.457 HD11 ' CD2' ' A' ' 24' ' ' TYR . 41.9 mt -76.9 -45.43 28.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 t -54.47 -38.86 66.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -67.84 -33.42 74.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.05 -49.18 62.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.42 ' HA ' ' CG ' ' A' ' 17' ' ' ASP . 47.1 t -78.0 -0.72 28.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 57.98 38.86 26.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.7 mt -115.7 173.2 6.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 49' ' ' GLN . 8.6 m -84.24 142.2 30.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -38.15 -34.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -72.27 -44.75 62.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 46' ' ' SER . 13.3 mm100 -47.1 -49.61 21.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.24 -44.85 99.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 mt -52.8 -41.07 63.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -72.82 -40.68 65.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.449 ' HE1' HG21 ' A' ' 18' ' ' ILE . 2.3 t90 -52.37 -57.98 8.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.413 ' HE1' HD22 ' A' ' 21' ' ' LEU . 59.7 m-85 -63.19 -51.35 66.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -47.29 -42.79 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 62.2 m -64.18 -36.33 83.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -67.1 -47.07 72.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.5 mt -52.52 154.74 4.28 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.613 0.721 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 88.97 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.312 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -135.36 158.52 74.36 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 113.42 3.38 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.638 2.225 . . . . 0.0 112.337 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -162.23 173.36 14.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.054 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -125.18 96.82 4.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.611 ' O ' HG12 ' A' ' 64' ' ' VAL . 39.1 t 63.42 47.49 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.157 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.8 p -59.41 111.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.66 146.21 19.51 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.88 -175.43 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.646 2.231 . . . . 0.0 112.251 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.9 m -151.44 127.24 10.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.2 t -95.72 95.11 8.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.447 -179.958 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -90.86 148.98 22.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.936 0.398 . . . . 0.0 110.784 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -126.55 -53.62 1.46 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.862 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.95 53.97 0.2 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.467 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 m -114.94 162.4 16.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.954 0.406 . . . . 0.0 110.885 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.5 m -49.01 113.89 0.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.77 84.98 1.18 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.454 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 118.78 5.89 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.741 2.294 . . . . 0.0 112.324 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 pp -49.94 144.53 10.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -179.39 2.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.321 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.412 ' C ' HD12 ' A' ' 11' ' ' ILE . 2.7 pp -71.53 151.19 93.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.671 0.748 . . . . 0.0 111.083 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 118.26 5.58 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.808 2.339 . . . . 0.0 112.32 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.86 168.24 22.24 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.68 2.253 . . . . 0.0 112.326 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 168.72 20.78 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.659 2.239 . . . . 0.0 112.371 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.464 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 53.2 Cg_endo -69.84 110.4 2.56 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.636 2.224 . . . . 0.0 112.334 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' A' ' 15' ' ' PRO . 53.4 Cg_endo -69.78 164.82 33.12 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.639 2.226 . . . . 0.0 112.324 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.446 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.8 OUTLIER -97.74 106.71 19.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.422 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 9.6 mm -89.27 -19.57 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.571 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 9.0 mm-40 -51.09 -45.9 88.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 64.2 Cg_exo -47.97 -46.15 22.82 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.709 2.273 . . . . 0.0 112.365 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.613 HD23 ' HB3' ' A' ' 39' ' ' LEU . 2.4 mt -79.06 -38.52 36.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -54.25 -49.17 70.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -62.68 -57.38 11.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.595 ' CE2' ' OD2' ' A' ' 35' ' ' ASP . 37.3 t80 -51.6 -37.65 50.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.467 ' O ' ' NE2' ' A' ' 29' ' ' GLN . 70.5 t-105 -70.91 -51.07 28.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.82 -11.74 60.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.035 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.1 -56.44 2.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -99.04 -43.22 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' A' ' 25' ' ' TRP . 0.6 OUTLIER 72.16 29.58 2.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.901 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -149.93 120.42 7.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.44 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 52.9 tp -80.33 135.7 36.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.9 mmm-85 -126.13 131.2 52.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -46.65 -24.26 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 54.4 m -80.82 -34.89 33.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.595 ' OD2' ' CE2' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -88.7 -11.32 45.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.528 HG22 ' N ' ' A' ' 37' ' ' PRO . 2.3 mt -58.67 -58.62 17.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.721 . . . . 0.0 111.098 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.528 ' N ' HG22 ' A' ' 36' ' ' ILE . 53.8 Cg_endo -69.79 -43.5 2.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.638 2.225 . . . . 0.0 112.335 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -59.02 -40.49 85.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.613 ' HB3' HD23 ' A' ' 21' ' ' LEU . 78.1 mt -72.07 -48.03 47.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.7 t -50.08 -47.23 53.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.449 ' O ' ' NH2' ' A' ' 44' ' ' ARG . 68.0 mt-30 -59.83 -41.53 91.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.957 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.93 -34.5 78.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 88.9 p -92.44 3.62 55.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER 58.44 30.24 19.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.456 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 28.1 mt -109.29 177.13 4.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 49' ' ' GLN . 7.0 p -95.36 149.64 21.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -42.48 -35.67 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -76.92 -34.01 57.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.456 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 21.3 mm100 -57.73 -51.19 70.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.46 HG13 HD22 ' A' ' 21' ' ' LEU . 72.8 t -60.98 -38.95 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.34 -41.35 84.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -73.27 -38.35 65.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 9.4 t90 -53.96 -59.33 4.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.44 ' CD2' ' HB2' ' A' ' 31' ' ' LEU . 14.3 m-85 -60.28 -51.75 68.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.815 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -52.48 -40.33 62.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.8 m -66.31 -32.62 74.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -66.5 -42.93 86.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 33.3 mt -48.76 156.0 0.95 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.613 0.721 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 89.51 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.661 2.241 . . . . 0.0 112.284 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -136.98 145.94 52.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.683 0.754 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 136.1 32.21 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.647 2.231 . . . . 0.0 112.361 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -112.95 148.95 33.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.075 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -132.78 106.64 7.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.5 ' O ' HG12 ' A' ' 64' ' ' VAL . 21.4 t 66.05 50.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.5 p -69.25 -45.41 69.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.93 173.54 42.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 117.18 4.93 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.619 2.213 . . . . 0.0 112.336 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.6 t -115.15 163.14 16.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.2 p -48.85 152.52 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.781 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 t -156.94 155.74 31.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.836 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -158.23 163.76 37.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.32 164.32 13.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.428 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 m -106.21 162.09 13.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.843 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 7' ' ' GLY . 33.6 p -91.08 -69.18 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 33.99 -96.36 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' SER . 53.2 Cg_endo -69.8 -177.26 1.8 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.618 2.212 . . . . 0.0 112.345 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.93 85.13 33.87 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.562 0.696 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 179.63 3.59 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.337 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.1 pt -52.17 151.45 6.96 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.67 0.748 . . . . 0.0 111.091 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 147.73 63.29 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.727 2.284 . . . . 0.0 112.325 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 168.93 20.05 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.258 . . . . 0.0 112.318 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 165.81 29.64 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.722 2.281 . . . . 0.0 112.339 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 148.37 65.0 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.694 2.262 . . . . 0.0 112.314 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 165.97 29.11 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.733 2.289 . . . . 0.0 112.402 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.466 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -108.85 114.65 28.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.409 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 3.8 mm -90.59 -17.99 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.577 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 13.3 mt-30 -51.76 -45.63 91.91 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.53 0.681 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.1 Cg_exo -48.01 -47.86 17.99 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.734 2.289 . . . . 0.0 112.329 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.642 HD22 ' HE1' ' A' ' 54' ' ' PHE . 3.0 mt -77.81 -37.89 47.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.963 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -54.58 -50.15 68.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -66.8 -52.95 37.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.923 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -50.89 -34.23 27.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.579 ' CZ2' ' HB3' ' A' ' 57' ' ' ARG . 58.8 t-105 -75.25 -53.84 8.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.7 -13.98 62.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.04 -54.41 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.063 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -99.04 -37.94 9.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.569 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . 20.2 tt0 62.0 34.97 16.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -163.63 123.19 2.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.953 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 67.8 tp -87.96 141.06 28.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -124.73 143.61 50.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.586 ' HA ' HD12 ' A' ' 36' ' ' ILE . 27.3 mt-10 -56.55 -19.52 16.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.3 t -85.45 -33.88 21.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.055 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -92.1 -6.49 50.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.586 HD12 ' HA ' ' A' ' 33' ' ' GLU . 3.2 mt -63.93 -58.41 14.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.621 0.725 . . . . 0.0 111.158 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 54.4 Cg_endo -69.76 -18.58 36.94 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.238 . . . . 0.0 112.325 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.594 HE22 HD23 ' A' ' 39' ' ' LEU . 2.0 tm0? -83.28 -48.7 10.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.594 HD23 HE22 ' A' ' 38' ' ' GLN . 60.3 mt -69.55 -41.88 75.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.5 t -54.41 -39.49 67.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -70.2 -26.46 63.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.59 -46.13 16.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.6 m -74.07 -2.22 23.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 64.48 36.87 8.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.461 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 8.2 mt -123.16 177.84 5.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 p -95.09 156.19 16.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.42 HG23 ' CG2' ' A' ' 36' ' ' ILE . 2.1 m -46.39 -35.1 5.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.153 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -78.11 -35.85 48.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 14.2 mm100 -57.07 -51.82 67.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 43.6 t -60.81 -39.61 82.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.7 mt -58.85 -45.57 89.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -69.57 -30.35 68.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.809 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.44 ' O ' ' NH1' ' A' ' 57' ' ' ARG . 17.1 t90 -59.36 -64.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.642 ' HE1' HD22 ' A' ' 21' ' ' LEU . 63.1 m-85 -61.29 -29.51 69.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -55.39 -25.06 33.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.441 ' HB3' ' NH2' ' A' ' 57' ' ' ARG . 2.3 m -87.18 -15.1 39.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.579 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 0.0 OUTLIER -75.31 -35.0 61.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.874 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.92 162.81 25.82 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.613 0.721 . . . . 0.0 110.943 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 108.11 2.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -65.61 145.01 99.08 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.614 0.721 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.81 104.65 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.663 2.242 . . . . 0.0 112.382 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -125.61 32.45 5.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.059 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -149.43 161.45 42.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.49 -37.43 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.463 ' O ' ' C ' ' A' ' 66' ' ' GLY . 66.1 m -108.64 123.63 49.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.796 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 65' ' ' SER . . . -32.85 96.36 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.504 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.433 ' N ' ' O ' ' A' ' 65' ' ' SER . 54.0 Cg_endo -69.78 140.64 43.08 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.629 2.219 . . . . 0.0 112.399 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.9 t -80.14 134.07 36.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 70' ' ' GLY . 8.3 t 48.38 41.77 17.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 69' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -147.22 129.0 15.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.364 . . . . 0.0 110.852 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.3 t -121.23 107.61 12.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.809 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.6 43.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.6 p -73.76 -43.21 59.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.6 p -174.51 123.05 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.99 -160.56 12.53 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.51 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -178.59 2.39 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.725 2.283 . . . . 0.0 112.384 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.782 ' H ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -37.14 156.5 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.593 0.711 . . . . 0.0 110.88 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 164.22 35.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.2 pt -53.94 144.43 37.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.608 0.718 . . . . 0.0 111.132 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 169.44 18.92 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.737 2.291 . . . . 0.0 112.304 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 169.2 19.38 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.646 2.231 . . . . 0.0 112.371 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 146.66 60.95 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.661 2.241 . . . . 0.0 112.375 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.428 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 54.2 Cg_endo -69.66 110.27 2.49 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.703 2.268 . . . . 0.0 112.391 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 15' ' ' PRO . 54.0 Cg_endo -69.78 163.98 36.25 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.344 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.424 ' CG ' ' HD3' ' A' ' 20' ' ' PRO . 47.3 t0 -105.77 113.32 26.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.402 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 6.4 mm -90.42 -14.15 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.575 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 5.4 mm100 -51.49 -46.0 90.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.566 0.698 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.6 Cg_exo -47.99 -47.97 17.64 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.62 2.213 . . . . 0.0 112.361 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.479 HD21 HG22 ' A' ' 50' ' ' VAL . 2.3 mt -77.99 -37.44 47.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -54.79 -49.01 71.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -68.2 -54.61 16.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.819 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -52.8 -37.54 59.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.56 ' CZ2' ' HB3' ' A' ' 57' ' ' ARG . 52.3 t-105 -62.35 -55.61 26.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.65 -6.51 44.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.085 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.82 -58.0 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -99.18 -35.03 10.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.81 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 62.07 42.97 9.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -169.77 119.43 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.0 tp -81.94 134.85 35.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -125.85 140.43 52.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -53.86 -22.08 9.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.7 p -83.5 -31.29 26.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.192 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.26 -13.01 33.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.524 HG22 ' N ' ' A' ' 37' ' ' PRO . 2.7 mt -58.4 -58.72 16.96 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.652 0.739 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.524 ' N ' HG22 ' A' ' 36' ' ' ILE . 54.5 Cg_endo -69.7 -25.56 28.76 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -75.16 -39.66 60.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.8 mt -77.7 -48.09 17.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -50.81 -26.01 5.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.464 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 1.7 pt20 -70.57 -46.7 63.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.464 ' N ' ' CG ' ' A' ' 41' ' ' GLN . . . -70.15 -44.59 68.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.07 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 m -73.92 -6.31 46.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.773 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 53.6 37.8 26.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.3 mt -112.19 -179.83 3.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 49' ' ' GLN . 4.2 m -91.91 146.76 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.8 m -42.83 -33.88 0.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.103 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -74.29 -35.81 63.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 46' ' ' SER . 14.2 mm100 -56.44 -52.37 64.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.479 HG22 HD21 ' A' ' 21' ' ' LEU . 75.9 t -61.55 -36.8 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.2 mt -63.53 -42.98 98.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -74.65 -37.99 62.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.401 ' HE1' HG21 ' A' ' 18' ' ' ILE . 2.0 t90 -53.81 -53.2 55.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -74.05 -39.34 63.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.443 ' HA ' HD12 ' A' ' 58' ' ' LEU . 12.6 m-20 -56.83 -40.37 75.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.6 t -66.93 -37.63 84.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.56 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 4.1 mmp_? -64.71 -45.33 87.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 55' ' ' ASP . 23.3 mt -54.22 151.93 12.31 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.623 0.725 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 84.64 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.702 2.268 . . . . 0.0 112.378 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.409 HE22 ' CB ' ' A' ' 62' ' ' ALA . 1.8 pp0? -137.86 144.17 43.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.625 0.726 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 116.93 4.79 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.754 2.303 . . . . 0.0 112.276 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.409 ' CB ' HE22 ' A' ' 60' ' ' GLN . . . -166.81 130.51 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -97.4 115.59 28.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.9 p -148.08 148.64 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.5 m -49.29 160.28 0.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -108.27 84.69 0.38 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.43 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 159.06 54.78 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.397 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 t -127.34 148.18 50.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.0 m -53.72 122.76 10.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.525 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.242 0 N-CA-C 112.42 -0.272 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 t -106.26 -52.92 2.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 110.888 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -66.07 129.34 39.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.918 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.88 -127.37 3.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.52 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.3 p -122.45 133.88 54.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.933 0.397 . . . . 0.0 110.876 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 m -93.42 -53.49 4.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.821 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.71 -105.32 0.11 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 108.83 2.16 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -83.29 148.3 55.55 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 158.51 56.73 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.744 2.296 . . . . 0.0 112.361 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.8 pt -60.08 149.18 75.67 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.596 0.712 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 146.25 59.67 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 169.78 18.16 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.651 2.234 . . . . 0.0 112.331 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 167.68 23.7 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.652 2.235 . . . . 0.0 112.326 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 110.3 2.53 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.639 2.226 . . . . 0.0 112.334 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 162.37 42.28 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.76 2.307 . . . . 0.0 112.347 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.404 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 1.1 m-20 -103.66 112.41 25.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.432 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 9.6 mm -92.51 -13.65 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.641 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 26.1 mp0 -59.76 -41.2 84.53 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.524 0.678 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.6 Cg_exo -48.02 -43.02 31.4 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.494 HD22 ' HE1' ' A' ' 54' ' ' PHE . 1.4 mt -83.06 -38.51 22.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.976 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -54.01 -46.59 71.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -68.07 -58.08 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.598 ' CD1' ' CD2' ' A' ' 28' ' ' HIS . 83.7 t80 -50.82 -40.28 55.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -56.9 -55.2 37.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.1 -5.05 47.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.12 -58.02 2.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.598 ' CD2' ' CD1' ' A' ' 24' ' ' TYR . 4.2 m-70 -103.2 -34.52 8.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 63.43 31.76 14.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -151.23 128.12 10.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.2 tp -89.36 132.8 34.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.424 ' H ' ' CG ' ' A' ' 35' ' ' ASP . 52.9 mtp180 -129.09 130.23 46.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -46.08 -23.91 0.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.3 t -79.01 -37.19 39.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.424 ' CG ' ' H ' ' A' ' 32' ' ' ARG . 10.9 p30 -86.68 -14.03 43.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.536 HG22 ' N ' ' A' ' 37' ' ' PRO . 2.4 mt -55.43 -58.63 14.32 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.558 0.694 . . . . 0.0 111.124 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.536 ' N ' HG22 ' A' ' 36' ' ' ILE . 53.6 Cg_endo -69.77 -40.02 5.8 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.31 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -60.58 -41.68 95.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.423 HD11 ' CD2' ' A' ' 24' ' ' TYR . 43.0 mt -74.79 -44.17 50.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.3 t -54.4 -42.65 70.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -64.3 -28.2 69.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.17 -46.89 17.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.103 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.8 m -73.81 -2.49 23.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 61.19 34.88 18.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.42 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 17.4 mt -118.29 176.35 5.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 49' ' ' GLN . 12.6 p -88.48 146.1 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -40.47 -37.13 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.164 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -73.71 -39.19 64.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 46' ' ' SER . 20.7 mm-40 -51.15 -51.31 54.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.0 t -60.01 -40.51 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.9 mt -57.69 -40.42 79.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -78.55 -35.41 46.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.412 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 27.0 t90 -56.21 -52.75 63.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.494 ' HE1' HD22 ' A' ' 21' ' ' LEU . 12.8 m-85 -65.87 -49.45 68.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -52.11 -35.38 47.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.3 t -71.9 -34.25 68.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -59.89 -39.63 85.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 38.2 mt -39.96 149.22 0.29 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.6 0.714 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 95.78 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.659 2.239 . . . . 0.0 112.347 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -102.24 148.72 35.81 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.569 0.7 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 92.39 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.64 2.226 . . . . 0.0 112.328 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -166.17 163.71 17.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -117.71 41.33 2.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.811 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.451 HG13 ' N ' ' A' ' 65' ' ' SER . 8.4 p -43.27 -42.54 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.451 ' N ' HG13 ' A' ' 64' ' ' VAL . 94.7 p -148.5 170.59 17.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.69 -95.56 0.69 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 86.6 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.716 2.278 . . . . 0.0 112.289 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.5 p -54.84 -49.5 70.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 t 45.72 42.87 9.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.543 -179.92 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.223 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -172.1 165.68 6.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 p -118.74 145.4 45.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.833 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.0 149.92 5.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.434 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.6 t -152.0 117.11 5.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 110.876 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 m -149.94 150.26 31.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.49 -158.68 28.91 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.543 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 173.47 10.87 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.394 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.713 ' H ' HD12 ' A' ' 9' ' ' LEU . 6.6 mp -40.13 144.37 0.55 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.652 0.739 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 143.17 50.07 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.354 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.518 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -66.13 144.95 98.96 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.595 0.712 . . . . 0.0 111.13 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 157.32 60.59 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.701 2.268 . . . . 0.0 112.339 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 153.53 68.94 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.618 2.212 . . . . 0.0 112.337 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 163.72 37.26 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.703 2.269 . . . . 0.0 112.298 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.411 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 53.7 Cg_endo -69.75 114.81 3.82 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.722 2.282 . . . . 0.0 112.273 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 15' ' ' PRO . 53.6 Cg_endo -69.8 161.95 43.99 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.726 2.284 . . . . 0.0 112.303 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.423 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -102.8 107.89 18.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.433 HG23 ' NE1' ' A' ' 53' ' ' TRP . 12.3 mm -88.68 -23.03 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.566 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 7.9 mt-30 -51.36 -45.98 89.85 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.643 0.735 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 63.9 Cg_exo -47.87 -42.23 31.35 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.692 2.261 . . . . 0.0 112.368 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.439 HD22 HG13 ' A' ' 50' ' ' VAL . 1.9 mt -83.81 -37.4 22.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.468 ' HG2' ' CZ2' ' A' ' 53' ' ' TRP . 13.8 mt-10 -55.4 -50.73 69.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -61.91 -49.29 76.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -54.63 -40.08 68.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.591 ' CZ3' ' O ' ' A' ' 29' ' ' GLN . 66.8 t-105 -71.29 -53.42 14.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.4 -2.97 9.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.06 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.58 -54.43 3.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -123.88 -15.19 6.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.591 ' O ' ' CZ3' ' A' ' 25' ' ' TRP . 17.1 mt-30 63.65 27.82 14.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -140.95 156.07 46.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.544 HD21 HG12 ' A' ' 36' ' ' ILE . 32.6 tp -120.95 144.7 48.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.8 mtt180 -123.89 130.49 52.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.521 ' HA ' HD12 ' A' ' 36' ' ' ILE . 37.4 mt-10 -47.55 -20.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.0 t -82.95 -35.82 25.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -88.34 -14.31 38.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.544 HG12 HD21 ' A' ' 31' ' ' LEU . 2.9 mt -55.16 -58.27 15.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.5 Cg_endo -69.78 -31.71 19.88 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.727 2.285 . . . . 0.0 112.321 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -67.97 -38.05 82.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.2 mt -78.12 -48.15 16.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -50.92 -25.05 4.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 2.7 pt20 -71.85 -46.53 57.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.468 ' N ' ' CG ' ' A' ' 41' ' ' GLN . . . -72.69 -36.03 67.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.2 p -74.58 -10.88 59.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 62.51 32.65 16.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 16.6 mt -119.87 172.57 7.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 49' ' ' GLN . 7.9 m -86.6 145.06 26.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.1 m -37.38 -34.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.153 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -72.79 -48.82 34.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.457 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 15.4 mm100 -43.65 -51.03 7.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.439 HG13 HD22 ' A' ' 21' ' ' LEU . 77.9 t -60.18 -44.9 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.168 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.5 mt -53.46 -39.52 64.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -75.93 -37.81 58.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.468 ' CZ2' ' HG2' ' A' ' 22' ' ' GLU . 13.1 t90 -54.13 -52.76 60.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -72.43 -37.89 68.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.23 -39.09 85.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.0 m -69.58 -36.56 76.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -58.72 -39.96 82.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 50.3 mt -43.16 154.28 0.32 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.623 0.725 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 84.6 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.707 2.272 . . . . 0.0 112.309 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -73.12 150.88 90.18 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.631 0.729 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 121.56 8.27 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.651 2.234 . . . . 0.0 112.401 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -137.27 172.11 13.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -54.61 102.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 62' ' ' ALA . 72.7 t -99.67 146.56 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.044 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 m -61.88 -53.47 55.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.39 152.81 21.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.4 Cg_endo -69.7 0.68 5.25 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 67' ' ' PRO . 20.4 t -37.21 123.21 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -161.57 154.92 21.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.442 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.0 p -120.34 130.98 54.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.943 0.401 . . . . 0.0 110.838 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -170.29 143.82 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.11 -158.99 11.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 t -134.69 80.64 1.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.905 0.384 . . . . 0.0 110.866 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.7 p -172.95 138.9 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.444 ' C ' ' HD3' ' A' ' 10' ' ' PRO . . . 163.12 -161.44 33.95 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.509 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 9' ' ' LEU . 53.6 Cg_endo -69.7 82.17 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.656 2.238 . . . . 0.0 112.388 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.478 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 1.1 tt 34.17 52.29 1.17 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.721 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 9' ' ' LEU . 54.2 Cg_endo -69.8 177.39 5.65 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.673 2.249 . . . . 0.0 112.377 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.593 ' O ' HD12 ' A' ' 11' ' ' ILE . 2.7 pp -67.18 148.79 98.74 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.668 0.746 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 149.11 66.84 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.37 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 150.31 68.2 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 166.87 26.1 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.315 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.463 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 53.6 Cg_endo -69.77 110.33 2.53 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.68 2.253 . . . . 0.0 112.386 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.463 ' HD2' ' HA ' ' A' ' 15' ' ' PRO . 54.2 Cg_endo -69.71 177.71 5.27 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.709 2.273 . . . . 0.0 112.296 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -120.35 114.87 22.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.435 HG22 ' CZ2' ' A' ' 53' ' ' TRP . 2.8 mm -92.89 -21.95 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.576 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 6.6 mm-40 -51.7 -45.66 91.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.558 0.694 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 64.1 Cg_exo -47.93 -37.99 30.24 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.601 2.201 . . . . 0.0 112.378 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.401 HD22 HG13 ' A' ' 50' ' ' VAL . 2.5 mt -88.38 -35.11 17.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -59.49 -45.9 90.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -64.5 -59.53 4.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -48.89 -31.31 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.402 ' O ' ' N ' ' A' ' 29' ' ' GLN . 74.9 t-105 -77.97 -51.89 9.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.49 -18.25 65.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.061 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.1 -54.48 3.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.079 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -94.0 -45.49 7.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 25' ' ' TRP . 1.3 tp-100 74.26 34.41 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -166.09 137.09 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.736 HD13 ' CD2' ' A' ' 54' ' ' PHE . 43.6 tp -87.69 144.33 26.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.0 mmm-85 -129.56 132.74 46.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.463 ' HA ' HD12 ' A' ' 36' ' ' ILE . 55.5 mt-10 -49.53 -18.71 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.9 t -85.95 -30.92 22.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.459 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 1.5 m-20 -95.1 -7.41 39.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.528 HG22 ' N ' ' A' ' 37' ' ' PRO . 2.8 mt -63.42 -58.67 14.59 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.655 0.741 . . . . 0.0 111.118 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.528 ' N ' HG22 ' A' ' 36' ' ' ILE . 53.8 Cg_endo -69.81 -34.86 13.57 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.643 2.228 . . . . 0.0 112.349 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -68.46 -45.86 71.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 35' ' ' ASP . 56.1 mt -70.68 -42.42 70.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.6 t -55.05 -37.28 66.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -64.65 -34.08 77.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.12 -40.61 45.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.0 p -74.52 -7.14 52.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.797 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 63.55 28.09 15.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 23.8 mt -114.88 178.0 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.6 m -92.19 150.62 20.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.6 m -39.14 -43.07 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.196 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -65.71 -45.7 81.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.474 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 14.7 mm100 -47.11 -49.72 21.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.401 HG13 HD22 ' A' ' 21' ' ' LEU . 93.8 t -62.64 -45.89 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.1 mt -54.04 -35.12 61.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -78.17 -37.26 46.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.435 ' CZ2' HG22 ' A' ' 18' ' ' ILE . 25.2 t90 -56.82 -59.41 5.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.736 ' CD2' HD13 ' A' ' 31' ' ' LEU . 55.9 m-85 -60.68 -51.86 67.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.408 ' HA ' HD12 ' A' ' 58' ' ' LEU . 23.2 t0 -51.07 -29.3 12.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.9 m -80.06 -35.13 37.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -61.07 -33.93 74.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.784 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 55' ' ' ASP . 24.0 mt -45.55 154.75 0.51 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.592 0.71 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 86.42 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.683 2.255 . . . . 0.0 112.308 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -148.65 158.04 40.5 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.526 0.679 . . . . 0.0 110.975 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 127.71 15.03 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.675 2.25 . . . . 0.0 112.423 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.53 122.52 15.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.157 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -98.74 46.79 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.5 p -102.06 143.98 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.3 t -103.61 153.7 20.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.01 81.1 1.54 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.554 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 106.01 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.356 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.8 m -63.68 143.8 57.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.1 p -174.95 124.99 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m -152.07 163.5 39.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 110.933 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -124.72 130.17 51.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.8 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.26 -154.48 42.69 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.443 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 m -119.46 124.87 47.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -151.31 149.83 29.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.74 65.24 0.55 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.44 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 179.61 3.59 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.737 2.291 . . . . 0.0 112.33 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 28.0 mt -52.89 154.06 5.39 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.627 0.727 . . . . 0.0 110.965 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 145.26 57.26 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.732 2.288 . . . . 0.0 112.35 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.783 ' O ' HD12 ' A' ' 11' ' ' ILE . 2.4 pp -96.74 145.74 30.11 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.617 0.722 . . . . 0.0 111.184 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 148.52 65.61 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.668 2.245 . . . . 0.0 112.383 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 147.7 63.23 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.66 2.24 . . . . 0.0 112.356 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 167.63 23.92 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.71 2.273 . . . . 0.0 112.374 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.456 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 53.1 Cg_endo -69.78 110.36 2.54 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.618 2.212 . . . . 0.0 112.329 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.456 ' HD2' ' HA ' ' A' ' 15' ' ' PRO . 53.9 Cg_endo -69.76 160.16 50.72 Favored 'Trans proline' 0 C--O 1.23 0.123 0 C-N-CA 122.715 2.276 . . . . 0.0 112.301 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -103.74 112.29 25.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.1 mm -90.39 -14.78 8.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.571 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 8.8 mt-30 -56.49 -45.59 99.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.606 0.717 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.5 Cg_exo -48.04 -44.16 28.65 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.721 2.281 . . . . 0.0 112.345 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.517 HD22 HG13 ' A' ' 50' ' ' VAL . 4.1 mt -79.73 -51.13 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.574 ' HG2' ' CZ2' ' A' ' 53' ' ' TRP . 6.5 mm-40 -50.25 -50.93 48.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -59.8 -47.69 84.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -61.66 -35.75 78.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.419 ' O ' ' CA ' ' A' ' 29' ' ' GLN . 73.1 t-105 -64.14 -51.26 64.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.5 -19.91 60.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.43 -50.83 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -116.5 -42.01 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.419 ' CA ' ' O ' ' A' ' 25' ' ' TRP . 9.6 tt0 69.7 40.31 1.38 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -151.59 120.36 6.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.3 tp -88.5 130.6 35.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.971 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.413 ' H ' ' CG ' ' A' ' 35' ' ' ASP . 49.5 mtp180 -127.04 136.72 52.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.76 ' HA ' HD12 ' A' ' 36' ' ' ILE . 38.5 mt-10 -49.64 -23.56 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.0 t -80.2 -38.38 31.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.413 ' CG ' ' H ' ' A' ' 32' ' ' ARG . 10.3 p30 -88.42 -7.89 55.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.805 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.76 HD12 ' HA ' ' A' ' 33' ' ' GLU . 3.3 mt -63.27 -58.55 15.35 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.604 0.716 . . . . 0.0 111.105 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.2 Cg_endo -69.81 -30.57 21.82 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.626 2.217 . . . . 0.0 112.329 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -69.59 -42.09 74.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 42.5 mt -75.31 -43.45 50.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 t -55.16 -38.03 67.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -66.37 -27.71 68.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.73 -46.61 12.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.0 m -71.48 -0.92 11.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 60.64 35.68 19.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.776 HD22 HE21 ' A' ' 49' ' ' GLN . 18.1 mt -119.3 -179.57 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 p -96.44 155.69 16.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 m -48.05 -28.8 3.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -81.74 -43.74 17.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.776 HE21 HD22 ' A' ' 45' ' ' LEU . 6.5 mm100 -47.79 -54.72 11.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.517 HG13 HD22 ' A' ' 21' ' ' LEU . 73.3 t -58.36 -39.98 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.5 mt -58.84 -39.89 82.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -78.56 -30.62 46.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.855 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.574 ' CZ2' ' HG2' ' A' ' 22' ' ' GLU . 25.0 t90 -60.7 -51.5 69.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.472 ' HE1' HD22 ' A' ' 21' ' ' LEU . 13.4 m-85 -67.39 -42.24 83.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -44.53 -45.93 9.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 t -62.22 -39.17 91.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.9 mmp_? -67.74 -46.42 72.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.517 ' C ' HD12 ' A' ' 58' ' ' LEU . 1.2 pp -81.67 150.04 65.47 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.586 0.708 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.418 ' C ' HD12 ' A' ' 58' ' ' LEU . 54.7 Cg_endo -69.77 105.25 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.385 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.415 ' CD ' ' H ' ' A' ' 60' ' ' GLN . 1.8 mp0 -52.28 145.33 19.54 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.571 0.7 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 99.27 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.722 2.281 . . . . 0.0 112.308 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -133.37 155.87 48.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 51.73 44.7 29.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.1 t -96.81 112.84 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.4 m -46.31 169.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.08 -115.25 0.71 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.57 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -13.14 34.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.664 2.243 . . . . 0.0 112.364 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 51.7 p -55.16 174.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.6 t -141.67 125.07 16.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 m -83.95 -48.97 9.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.839 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -166.53 132.78 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.824 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.14 122.18 4.4 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.4 p -169.62 118.67 0.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.914 0.388 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 m -98.6 140.71 32.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.898 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.67 -114.05 4.02 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.438 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.64 159.58 52.97 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.714 2.276 . . . . 0.0 112.348 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 10' ' ' PRO . 4.6 pp -55.38 149.12 29.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.569 0.699 . . . . 0.0 110.966 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 11' ' ' ILE . 53.8 Cg_endo -69.78 174.66 9.2 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.244 . . . . 0.0 112.366 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.483 ' O ' HD12 ' A' ' 11' ' ' ILE . 2.6 pp -34.1 148.02 0.1 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.619 0.723 . . . . 0.0 111.147 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 164.78 33.26 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.35 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.455 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 53.7 Cg_endo -69.74 110.32 2.52 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.374 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.455 ' HD2' ' HA ' ' A' ' 13' ' ' PRO . 53.3 Cg_endo -69.73 162.62 41.35 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.772 2.315 . . . . 0.0 112.311 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 132.53 23.52 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.695 2.263 . . . . 0.0 112.323 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 159.29 53.95 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.672 2.248 . . . . 0.0 112.38 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.65 112.56 25.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.814 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.518 HG22 ' CZ2' ' A' ' 53' ' ' TRP . 3.4 mm -92.4 -18.87 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.572 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 7.2 mm-40 -50.36 -45.9 83.86 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.683 0.754 . . . . 0.0 110.933 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.5 Cg_exo -48.07 -45.57 24.92 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.642 2.228 . . . . 0.0 112.37 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.429 HD22 HG13 ' A' ' 50' ' ' VAL . 2.3 mt -81.68 -36.73 28.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -55.02 -47.04 75.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.807 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -67.26 -59.4 3.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -45.46 -34.54 3.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.479 ' CE2' ' HG3' ' A' ' 29' ' ' GLN . 71.1 t-105 -64.68 -56.78 11.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.96 -19.34 64.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.071 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.9 -56.49 4.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.088 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -117.77 -34.23 4.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.479 ' HG3' ' CE2' ' A' ' 25' ' ' TRP . 6.4 tt0 65.66 46.63 2.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.96 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -162.84 121.35 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.973 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.535 HD13 ' CE1' ' A' ' 54' ' ' PHE . 51.9 tp -83.44 137.74 33.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -123.21 132.94 54.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -46.46 -25.9 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.6 m -80.94 -33.32 34.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.111 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -90.01 -10.71 43.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.582 ' CG2' HG23 ' A' ' 47' ' ' THR . 2.4 mt -60.03 -58.74 17.2 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.674 0.749 . . . . 0.0 111.168 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.527 ' N ' HG22 ' A' ' 36' ' ' ILE . 53.4 Cg_endo -69.77 -29.97 22.97 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -73.0 -43.25 62.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.0 mt -75.74 -45.62 35.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.1 t -53.76 -37.35 63.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -65.99 -37.07 85.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.26 -41.69 56.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.512 ' HB2' HD12 ' A' ' 45' ' ' LEU . 1.4 m -71.96 -5.84 37.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 64.06 32.18 13.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.512 HD12 ' HB2' ' A' ' 43' ' ' SER . 4.4 mt -120.87 173.42 7.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.3 m -83.26 154.64 24.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.582 HG23 ' CG2' ' A' ' 36' ' ' ILE . 85.4 m -48.88 -31.46 7.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.184 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -79.59 -40.63 28.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -48.68 -49.93 35.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.429 HG13 HD22 ' A' ' 21' ' ' LEU . 57.1 t -61.27 -43.44 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.0 mt -55.61 -41.5 73.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -76.7 -30.72 56.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.518 ' CZ2' HG22 ' A' ' 18' ' ' ILE . 28.7 t90 -60.76 -55.69 30.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.668 ' O ' HD12 ' A' ' 58' ' ' LEU . 42.3 m-85 -60.04 -57.33 13.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.43 ' HA ' HD13 ' A' ' 58' ' ' LEU . 3.4 t70 -46.13 -36.57 6.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.2 t -70.89 -29.22 65.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 54' ' ' PHE . 10.9 mmm180 -63.76 -31.42 72.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.668 HD12 ' O ' ' A' ' 54' ' ' PHE . 2.2 mp -85.13 152.21 58.21 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.62 0.724 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.447 ' C ' ' HD3' ' A' ' 61' ' ' PRO . 54.0 Cg_endo -69.83 -178.93 2.6 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.627 2.218 . . . . 0.0 112.377 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.505 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 6.3 mm100 37.39 50.63 1.92 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.58 0.705 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 60' ' ' GLN . 53.7 Cg_endo -69.74 -175.21 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.76 2.307 . . . . 0.0 112.309 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -105.57 90.36 3.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.94 165.9 10.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.7 p -104.49 -32.54 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.055 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -85.73 142.51 28.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.49 -90.91 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.541 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.73 91.38 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.723 2.282 . . . . 0.0 112.311 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.0 m -171.49 167.55 6.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 70' ' ' GLY . 52.3 m 41.22 41.98 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 69' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.526 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 t -167.28 128.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.82 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.9 p -133.43 163.39 29.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.78 106.33 0.2 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.498 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 p -59.8 -38.6 82.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.916 0.389 . . . . 0.0 110.895 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t 53.32 42.8 32.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.28 -166.09 26.77 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.457 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 152.3 68.72 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.694 2.263 . . . . 0.0 112.34 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 mt -70.78 142.99 88.88 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.569 0.699 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 164.84 32.99 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.701 2.267 . . . . 0.0 112.335 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.518 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -64.31 149.58 94.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.689 0.757 . . . . 0.0 111.12 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.417 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 53.3 Cg_endo -69.84 110.32 2.54 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.674 2.249 . . . . 0.0 112.32 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 12' ' ' PRO . 54.6 Cg_endo -69.7 164.5 34.22 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.635 2.223 . . . . 0.0 112.436 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 167.8 23.38 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.338 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.432 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 53.6 Cg_endo -69.75 110.39 2.54 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.312 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 15' ' ' PRO . 53.1 Cg_endo -69.82 -178.54 2.41 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.729 2.286 . . . . 0.0 112.321 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -119.26 117.88 29.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.414 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 2.3 mm -93.61 -19.33 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.591 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 9.4 mt-30 -53.24 -45.16 98.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.539 0.685 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 63.7 Cg_exo -48.01 -41.64 32.94 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.612 2.208 . . . . 0.0 112.434 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.572 HD22 ' HE1' ' A' ' 54' ' ' PHE . 3.0 mt -85.67 -52.48 5.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 53' ' ' TRP . 6.2 mm-40 -48.94 -41.15 32.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -68.1 -46.82 69.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -61.43 -36.97 81.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.452 ' CE2' ' HG3' ' A' ' 29' ' ' GLN . 76.6 t-105 -67.82 -48.57 65.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.002 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.76 -17.25 64.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.72 -56.8 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -102.02 -41.22 6.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.452 ' HG3' ' CE2' ' A' ' 25' ' ' TRP . 8.3 tt0 72.06 42.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -169.89 135.24 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.456 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 59.2 tp -91.34 155.66 18.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -143.19 136.2 27.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.432 ' HA ' HD12 ' A' ' 36' ' ' ILE . 38.9 mt-10 -46.87 -28.59 1.63 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 t -77.72 -36.09 51.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.199 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.8 -10.27 48.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.538 HD11 HD21 ' A' ' 51' ' ' LEU . 2.5 mt -59.2 -58.23 21.08 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.606 0.717 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.1 Cg_endo -69.88 -31.0 20.83 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.673 2.249 . . . . 0.0 112.332 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -69.06 -37.6 78.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.6 mt -79.13 -46.17 18.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -52.27 -23.38 5.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.47 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 2.6 pt20 -74.17 -46.8 39.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.47 ' N ' ' CG ' ' A' ' 41' ' ' GLN . . . -72.71 -38.12 67.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.0 p -71.99 -14.77 61.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 66.21 30.84 9.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.431 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 15.7 mt -120.68 175.44 6.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -84.3 173.69 10.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.41 -37.46 85.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.2 tp60 -73.54 -36.67 65.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.431 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 14.0 mm100 -54.81 -50.21 69.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.89 -45.36 99.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.538 HD21 HD11 ' A' ' 36' ' ' ILE . 17.2 mt -57.68 -31.1 66.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -81.05 -34.08 33.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.824 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.563 ' CZ2' ' HG2' ' A' ' 22' ' ' GLU . 26.8 t90 -60.55 -58.26 9.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.572 ' HE1' HD22 ' A' ' 21' ' ' LEU . 14.3 m-85 -58.19 -43.18 87.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -46.54 -40.74 13.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.814 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 m -69.43 -29.63 67.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.436 ' HG3' ' CZ3' ' A' ' 53' ' ' TRP . 4.5 mmp_? -73.04 -48.02 39.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.651 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -75.03 144.13 78.76 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.669 0.747 . . . . 0.0 110.86 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.463 ' C ' HD12 ' A' ' 58' ' ' LEU . 54.5 Cg_endo -69.79 103.73 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.422 ' HB3' HD11 ' A' ' 58' ' ' LEU . 4.2 pp0? -125.4 144.42 47.7 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.694 0.759 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 111.37 2.8 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.66 2.24 . . . . 0.0 112.318 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -175.04 138.62 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.099 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.72 -175.73 4.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.2 t -140.53 115.64 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.7 p -122.55 15.32 10.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.808 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 130.33 143.47 5.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.447 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 177.73 5.28 Favored 'Trans proline' 0 N--CA 1.464 -0.224 0 C-N-CA 122.724 2.283 . . . . 0.0 112.408 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.7 t -175.02 150.76 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.854 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 m 51.72 43.75 29.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.523 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.4 m -126.21 99.82 6.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.369 . . . . 0.0 110.797 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.0 m -138.43 109.45 6.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.14 92.4 0.94 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 m -100.87 115.65 30.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 110.797 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -99.03 107.23 19.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.812 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.03 -89.26 0.14 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 176.79 6.27 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.374 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.7 mt -54.3 156.52 5.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.72 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 148.1 63.84 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.672 2.248 . . . . 0.0 112.284 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.0 pt -73.02 145.2 85.99 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.672 0.749 . . . . 0.0 111.123 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.42 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 52.7 Cg_endo -69.87 110.4 2.57 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.658 2.239 . . . . 0.0 112.268 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 12' ' ' PRO . 53.5 Cg_endo -69.8 150.34 67.83 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.737 2.291 . . . . 0.0 112.335 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.61 165.85 29.39 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.735 2.29 . . . . 0.0 112.407 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.411 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 53.5 Cg_endo -69.82 110.28 2.53 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.678 2.252 . . . . 0.0 112.386 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 15' ' ' PRO . 53.9 Cg_endo -69.69 163.76 37.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.349 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 43' ' ' SER . 33.3 t0 -107.21 116.95 32.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.545 ' CG2' ' NE1' ' A' ' 53' ' ' TRP . 5.0 mm -92.87 -11.44 9.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.569 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 5.1 mm-40 -54.05 -45.57 98.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.583 0.706 . . . . 0.0 110.942 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 64.3 Cg_exo -47.99 -40.66 33.31 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.718 2.279 . . . . 0.0 112.379 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.435 HD22 ' HE1' ' A' ' 54' ' ' PHE . 3.2 mt -85.82 -33.77 21.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -58.97 -46.61 87.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -66.14 -59.25 3.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -48.76 -33.47 10.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.536 ' CD1' ' NE2' ' A' ' 29' ' ' GLN . 76.4 t-105 -75.92 -49.96 16.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.24 -18.52 64.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.82 -54.08 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -93.21 -46.5 7.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.536 ' NE2' ' CD1' ' A' ' 25' ' ' TRP . 0.9 OUTLIER 72.9 27.07 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -150.41 151.3 32.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.665 HD13 ' CD1' ' A' ' 54' ' ' PHE . 33.9 tp -109.69 146.77 34.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.404 ' H ' ' CG ' ' A' ' 35' ' ' ASP . 30.2 mtt180 -138.52 131.75 30.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.594 ' HA ' HD12 ' A' ' 36' ' ' ILE . 7.0 mm-40 -45.97 -25.04 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.6 m -78.53 -37.35 43.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.404 ' CG ' ' H ' ' A' ' 32' ' ' ARG . 15.1 p30 -87.11 -11.69 49.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 33' ' ' GLU . 2.9 mt -59.07 -58.68 17.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.639 0.733 . . . . 0.0 111.153 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.53 ' N ' HG22 ' A' ' 36' ' ' ILE . 54.5 Cg_endo -69.78 -37.76 8.68 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.696 2.264 . . . . 0.0 112.409 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -63.77 -44.39 93.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.3 mt -71.71 -45.18 62.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 t -51.13 -39.15 55.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -67.74 -30.29 69.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.86 -42.61 57.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.499 ' OG ' HD12 ' A' ' 45' ' ' LEU . 87.9 p -82.81 0.25 44.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.89 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? 60.89 32.83 20.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.602 HD22 HE21 ' A' ' 49' ' ' GLN . 16.6 mt -111.72 -177.42 3.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.4 p -95.45 160.73 14.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.9 m -52.6 -30.02 28.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -80.78 -42.11 22.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.602 HE21 HD22 ' A' ' 45' ' ' LEU . 6.8 mm100 -48.75 -54.53 14.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.4 t -58.91 -40.61 80.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 mt -57.54 -41.51 81.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -73.53 -30.9 63.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.545 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 3.5 t90 -62.09 -53.61 53.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.665 ' CD1' HD13 ' A' ' 31' ' ' LEU . 41.5 m-85 -67.39 -42.97 82.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -62.34 -36.98 83.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.1 t -72.36 -31.4 65.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -63.45 -35.78 81.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.462 ' C ' ' H ' ' A' ' 60' ' ' GLN . 26.7 mt -46.46 148.65 1.59 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.591 0.71 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 18.74 0.19 Allowed 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.721 2.281 . . . . 0.0 112.393 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.462 ' H ' ' C ' ' A' ' 58' ' ' LEU . 5.9 pt20 -62.31 148.02 90.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.621 0.724 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 102.35 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.338 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -171.17 129.87 0.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.148 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.409 ' OE1' ' N ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -93.22 130.69 38.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.409 ' N ' ' OE1' ' A' ' 63' ' ' GLU . 14.1 p -129.22 143.95 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.8 p -173.1 144.94 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -153.39 150.9 22.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.63 -26.77 27.85 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.738 2.292 . . . . 0.0 112.364 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.6 m -148.16 167.25 25.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 t -104.76 119.56 39.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -142.53 142.97 32.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.351 . . . . 0.0 110.889 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -149.3 116.84 6.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.95 130.01 6.66 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.441 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -169.83 131.08 1.05 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.907 0.384 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.4 p -130.4 168.22 17.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.02 -94.47 0.67 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.415 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 158.22 57.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.634 2.223 . . . . 0.0 112.346 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.0 mt -68.93 149.69 97.8 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.623 0.725 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 137.69 36.27 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.396 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.484 HD13 ' N ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -72.07 144.94 88.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.628 0.728 . . . . 0.0 111.133 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.432 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 53.9 Cg_endo -69.77 110.37 2.54 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.338 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 12' ' ' PRO . 53.8 Cg_endo -69.82 148.93 65.76 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 166.72 26.66 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.71 2.273 . . . . 0.0 112.328 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.431 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 53.4 Cg_endo -69.75 110.31 2.52 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.749 2.3 . . . . 0.0 112.366 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 15' ' ' PRO . 53.4 Cg_endo -69.74 163.74 37.12 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.744 2.296 . . . . 0.0 112.311 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -103.08 114.72 29.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.422 HG21 ' HE1' ' A' ' 53' ' ' TRP . 5.4 mm -92.82 -9.18 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.58 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 14.3 mt-30 -55.37 -45.61 99.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.602 0.715 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.3 Cg_exo -47.97 -42.72 31.48 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.389 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.571 HD22 ' HE1' ' A' ' 54' ' ' PHE . 4.0 mt -82.9 -35.64 25.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -57.27 -48.54 78.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.5 mmt-85 -68.96 -55.54 10.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.55 ' CE1' ' CE1' ' A' ' 28' ' ' HIS . 53.6 t80 -47.65 -33.71 7.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 77.6 t-105 -77.22 -50.12 13.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.89 -18.98 65.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.071 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.54 -54.64 2.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.073 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.55 ' CE1' ' CE1' ' A' ' 24' ' ' TYR . 6.8 m-70 -86.52 -47.58 9.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 71.47 38.2 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -172.14 157.08 4.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 32' ' ' ARG . 19.2 tp -113.56 152.62 30.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.405 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 73.8 mtp180 -141.81 138.68 32.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -50.27 -24.97 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.2 p -81.01 -32.7 34.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.165 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.88 -11.15 42.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.552 ' CG2' HG23 ' A' ' 47' ' ' THR . 2.3 mt -59.27 -58.7 17.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.655 0.74 . . . . 0.0 111.156 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.536 ' N ' HG22 ' A' ' 36' ' ' ILE . 53.5 Cg_endo -69.8 -34.91 13.5 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.577 2.185 . . . . 0.0 112.376 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -66.54 -41.11 89.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.6 mt -75.88 -46.4 30.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 t -53.36 -35.96 60.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -69.19 -30.16 68.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.964 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.19 -52.57 10.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.551 ' OG ' HD12 ' A' ' 45' ' ' LEU . 85.7 p -71.78 0.84 7.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 59.83 26.7 15.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.551 HD12 ' OG ' ' A' ' 43' ' ' SER . 16.8 mt -105.78 176.28 5.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.5 p -85.25 153.48 22.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.552 HG23 ' CG2' ' A' ' 36' ' ' ILE . 42.6 m -51.42 -26.26 7.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.0 tp60 -82.63 -36.99 25.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.969 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -53.45 -53.76 46.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 72.1 t -57.48 -38.2 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.4 HD21 HD11 ' A' ' 36' ' ' ILE . 10.6 mt -58.74 -42.01 87.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -74.03 -31.45 62.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.422 ' HE1' HG21 ' A' ' 18' ' ' ILE . 3.1 t90 -59.21 -60.59 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.571 ' HE1' HD22 ' A' ' 21' ' ' LEU . 36.6 m-85 -62.78 -47.7 82.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -52.14 -40.85 61.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.8 t -67.02 -35.53 80.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.6 mmt-85 -62.87 -40.51 97.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.476 ' C ' ' H ' ' A' ' 60' ' ' GLN . 80.6 mt -44.3 150.29 0.65 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.626 0.727 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 18.69 0.19 Allowed 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.784 2.323 . . . . 0.0 112.341 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.476 ' H ' ' C ' ' A' ' 58' ' ' LEU . 71.8 mt-30 -70.99 156.86 91.49 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.612 0.72 . . . . 0.0 110.853 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 107.45 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.653 2.236 . . . . 0.0 112.32 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -172.32 153.8 3.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -85.06 165.93 17.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.6 p -142.72 139.73 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.6 t -76.58 -59.58 2.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -179.9 147.0 7.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.535 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -4.57 14.26 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.728 2.285 . . . . 0.0 112.315 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.5 m 40.91 38.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.921 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.7 p -55.57 150.94 11.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.8 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.447 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.533 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.0 m 42.58 42.0 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.84 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 m -114.21 169.85 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.59 73.35 0.51 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.558 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -80.04 -62.42 1.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.359 . . . . 0.0 110.871 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 m -76.21 133.57 40.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.64 177.14 36.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 177.3 5.68 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.1 mt -112.01 152.16 44.1 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.576 0.703 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.86 -177.04 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.302 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.1 pt -43.01 147.05 0.7 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.661 0.744 . . . . 0.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.65 147.16 62.97 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.452 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 168.39 21.65 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.627 2.218 . . . . 0.0 112.362 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 169.93 17.79 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.466 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 54.0 Cg_endo -69.74 110.28 2.51 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.694 2.263 . . . . 0.0 112.336 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.466 ' HD2' ' HA ' ' A' ' 15' ' ' PRO . 54.3 Cg_endo -69.65 161.52 45.6 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.42 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -105.9 105.93 16.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.427 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 5.6 mm -88.95 -20.45 7.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.579 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 25.5 mt-30 -49.45 -46.29 78.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.631 0.729 . . . . 0.0 110.94 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.5 Cg_exo -48.0 -46.14 22.94 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.519 HD22 HG13 ' A' ' 50' ' ' VAL . 2.7 mt -78.89 -38.81 36.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.454 ' HG2' ' CH2' ' A' ' 53' ' ' TRP . 14.1 mt-10 -54.05 -49.27 69.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -70.86 -48.01 56.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.426 ' CZ ' ' OD2' ' A' ' 35' ' ' ASP . 46.2 t80 -55.96 -37.05 68.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -62.65 -58.2 8.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.933 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.68 -4.6 35.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.94 -56.61 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -104.54 -31.95 9.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 60.85 44.28 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -171.71 119.8 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.499 HD21 HG12 ' A' ' 36' ' ' ILE . 58.2 tp -90.06 129.91 36.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.93 138.09 51.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.523 ' HA ' HD12 ' A' ' 36' ' ' ILE . 18.0 tt0 -51.4 -25.51 6.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.0 t -80.97 -30.28 35.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.071 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.493 ' OD2' ' CD1' ' A' ' 39' ' ' LEU . 2.5 t70 -94.89 -14.79 24.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' A' ' 33' ' ' GLU . 3.0 mt -54.94 -58.72 13.23 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.669 0.747 . . . . 0.0 111.177 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.523 ' N ' HG22 ' A' ' 36' ' ' ILE . 54.7 Cg_endo -69.69 -23.17 31.4 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.752 2.302 . . . . 0.0 112.389 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -75.82 -41.93 51.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.493 ' CD1' ' OD2' ' A' ' 35' ' ' ASP . 38.0 mt -76.15 -44.6 37.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 t -54.24 -41.02 68.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -61.83 -32.83 73.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.1 -36.25 30.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.053 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.0 m -78.71 -4.08 47.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 63.61 28.93 15.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.449 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 18.9 mt -116.84 171.23 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 p -84.82 156.0 21.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.409 HG23 ' CG2' ' A' ' 36' ' ' ILE . 5.4 m -52.57 -22.86 5.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.167 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -85.39 -32.3 22.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.449 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 15.2 mm100 -60.25 -52.02 67.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.519 HG13 HD22 ' A' ' 21' ' ' LEU . 70.5 t -59.84 -38.27 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.8 mt -60.05 -40.27 88.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -77.59 -35.31 53.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.454 ' CH2' ' HG2' ' A' ' 22' ' ' GLU . 6.6 t90 -55.52 -52.66 62.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -66.83 -50.2 63.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.425 ' HA ' HD12 ' A' ' 58' ' ' LEU . 9.8 t70 -49.88 -41.96 46.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.5 m -65.19 -36.39 84.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.832 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.6 mmt-85 -66.15 -41.64 90.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.471 ' C ' ' H ' ' A' ' 60' ' ' GLN . 25.4 mt -42.63 154.31 0.29 Allowed Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.679 0.752 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 18.79 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.595 2.196 . . . . 0.0 112.338 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.471 ' H ' ' C ' ' A' ' 58' ' ' LEU . 2.3 tt0 -74.92 139.21 73.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.585 0.707 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 118.63 5.8 Favored 'Trans proline' 0 C--O 1.23 0.121 0 C-N-CA 122.672 2.248 . . . . 0.0 112.319 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -131.12 121.65 25.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -109.17 43.93 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.8 m -93.32 171.67 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.1 m -115.9 -51.0 2.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.96 73.31 0.63 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.506 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 118.33 5.61 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.709 2.272 . . . . 0.0 112.42 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.2 t -88.61 153.23 21.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.5 t -154.77 121.82 5.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.506 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.6 p 44.15 42.42 4.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.895 0.379 . . . . 0.0 110.887 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.7 m -78.14 -56.05 4.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.09 -172.77 49.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.515 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.6 p -155.05 153.85 31.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.824 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -108.61 161.64 14.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.42 -101.45 1.57 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.42 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 171.77 13.85 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.417 ' O ' HD12 ' A' ' 9' ' ' LEU . 1.5 pp -41.04 156.8 0.2 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.547 0.689 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 163.28 38.85 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.751 2.301 . . . . 0.0 112.309 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.887 ' O ' HD12 ' A' ' 11' ' ' ILE . 2.3 pp -81.33 144.16 53.24 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.665 0.745 . . . . 0.0 111.168 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 151.65 68.72 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.637 2.225 . . . . 0.0 112.336 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.479 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 54.1 Cg_endo -69.71 110.36 2.52 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.337 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.479 ' HD2' ' HA ' ' A' ' 13' ' ' PRO . 53.3 Cg_endo -69.9 169.73 18.41 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.652 2.235 . . . . 0.0 112.305 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.409 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 53.5 Cg_endo -69.77 110.28 2.52 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.683 2.256 . . . . 0.0 112.327 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 15' ' ' PRO . 54.3 Cg_endo -69.7 175.45 8.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.64 2.227 . . . . 0.0 112.404 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 43' ' ' SER . 42.6 t0 -117.29 114.98 24.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mm -90.79 -13.18 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.578 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 20.9 mt-30 -53.71 -45.72 98.64 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 0.0 110.928 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 66.2 Cg_exo -48.02 -43.87 29.29 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.641 2.227 . . . . 0.0 112.35 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.542 HD22 ' HE1' ' A' ' 54' ' ' PHE . 3.2 mt -81.65 -36.94 28.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -56.06 -48.57 75.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.9 mmm-85 -69.61 -51.44 35.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.516 ' CG ' HD11 ' A' ' 39' ' ' LEU . 47.0 t80 -51.81 -34.99 42.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.518 ' CD1' ' NE2' ' A' ' 29' ' ' GLN . 74.7 t-105 -71.21 -51.36 25.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.95 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.12 -19.07 64.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.49 -57.88 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.037 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -92.36 -45.95 7.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.518 ' NE2' ' CD1' ' A' ' 25' ' ' TRP . 1.1 tp60 69.16 39.22 1.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -171.3 121.07 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.455 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . 39.4 tp -77.63 144.58 37.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -140.86 131.64 25.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.876 ' HA ' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -43.12 -27.37 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.0 m -74.97 -44.1 50.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.33 -6.72 54.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.876 HD12 ' HA ' ' A' ' 33' ' ' GLU . 4.0 mt -62.87 -58.11 18.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.58 0.705 . . . . 0.0 111.123 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 53.5 Cg_endo -69.7 -38.93 7.25 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.664 2.243 . . . . 0.0 112.334 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -59.52 -41.63 90.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.516 HD11 ' CG ' ' A' ' 24' ' ' TYR . 51.0 mt -74.42 -38.88 62.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.8 t -56.11 -37.07 68.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -67.68 -34.3 76.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.27 -50.57 45.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 38.4 t -76.58 1.19 17.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 58.79 38.26 24.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 35.7 mt -116.62 173.47 6.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 49' ' ' GLN . 3.5 p -86.99 149.61 24.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 m -43.89 -33.54 1.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.157 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -76.55 -35.43 58.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.469 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 24.5 mm100 -55.38 -51.14 67.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.2 -39.68 83.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.4 mt -58.14 -39.41 78.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -76.65 -30.99 57.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.44 ' CZ3' ' HG3' ' A' ' 57' ' ' ARG . 18.5 t90 -61.77 -55.09 33.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.542 ' HE1' HD22 ' A' ' 21' ' ' LEU . 22.9 m-85 -63.78 -48.81 75.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.489 ' HA ' HD12 ' A' ' 58' ' ' LEU . 8.9 t70 -49.54 -38.83 32.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.8 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 57.8 m -70.12 -35.44 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.44 ' HG3' ' CZ3' ' A' ' 53' ' ' TRP . 3.5 mmp_? -61.45 -31.23 71.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 55' ' ' ASP . 20.7 mt -48.38 151.54 1.87 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.599 0.714 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 18.57 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.476 ' H ' ' C ' ' A' ' 58' ' ' LEU . 33.5 mt-30 -47.64 146.48 3.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.555 0.693 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 176.79 6.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.295 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -114.27 104.55 12.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.173 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -66.8 120.85 14.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.955 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.8 t -83.36 137.34 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 76.5 p -46.27 161.03 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.816 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.22 -159.06 27.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.423 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -178.14 2.2 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.715 2.277 . . . . 0.0 112.326 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.2 m -144.31 170.04 16.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.2 t -94.24 -52.26 4.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.83 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m -113.98 133.54 55.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.937 0.399 . . . . 0.0 110.906 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.0 p -158.92 140.28 13.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.9 -141.42 11.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 t -126.4 115.47 19.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 p -167.72 148.57 5.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.441 ' C ' ' HD3' ' A' ' 10' ' ' PRO . . . 158.86 173.9 27.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.525 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 9' ' ' LEU . 54.3 Cg_endo -69.73 83.36 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.429 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.47 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 11.9 mt 33.33 52.8 1.03 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.641 0.734 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 9' ' ' LEU . 54.1 Cg_endo -69.76 -174.02 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.312 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.2 pt -73.45 150.88 89.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.585 0.707 . . . . 0.0 111.157 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 159.06 54.79 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.325 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.66 145.05 56.51 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.702 2.268 . . . . 0.0 112.374 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.77 164.5 34.3 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.631 2.221 . . . . 0.0 112.409 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 110.31 2.52 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.71 2.273 . . . . 0.0 112.362 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 174.12 9.9 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.737 2.291 . . . . 0.0 112.337 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.418 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 3.3 m-20 -115.43 110.47 19.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.431 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 3.9 mm -88.56 -22.15 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.57 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 3.9 mt-30 -50.83 -45.7 86.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.64 0.734 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 65.2 Cg_exo -47.99 -44.69 27.12 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.757 2.305 . . . . 0.0 112.332 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.528 HD23 ' HB3' ' A' ' 39' ' ' LEU . 2.1 mt -82.26 -35.5 28.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -57.31 -49.5 75.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.815 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -65.44 -56.68 11.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -49.27 -35.05 16.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.563 ' CD1' ' NE2' ' A' ' 29' ' ' GLN . 75.3 t-105 -72.85 -50.92 21.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.85 -14.14 62.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.092 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.2 -57.95 2.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -92.6 -39.05 11.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.563 ' NE2' ' CD1' ' A' ' 25' ' ' TRP . 0.8 OUTLIER 63.21 43.41 6.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -174.56 130.66 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.411 ' CD2' HD23 ' A' ' 51' ' ' LEU . 53.0 tp -85.24 152.89 22.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -142.58 137.15 29.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.507 ' HA ' HD12 ' A' ' 36' ' ' ILE . 22.1 tt0 -50.62 -23.42 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.1 t -82.62 -32.55 28.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.76 -13.86 33.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.529 HG22 ' N ' ' A' ' 37' ' ' PRO . 2.9 mt -55.41 -58.67 14.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.677 0.751 . . . . 0.0 111.127 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.529 ' N ' HG22 ' A' ' 36' ' ' ILE . 53.0 Cg_endo -69.8 -26.11 27.73 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.628 2.219 . . . . 0.0 112.342 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -74.23 -39.53 63.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.528 ' HB3' HD23 ' A' ' 21' ' ' LEU . 54.0 mt -77.42 -50.06 13.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.39 -22.26 4.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.506 ' C ' ' CD ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -72.89 -44.43 61.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.441 ' N ' ' CG ' ' A' ' 41' ' ' GLN . . . -75.59 -37.22 60.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.101 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.0 p -75.42 -12.16 60.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.84 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 56.8 33.28 22.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.1 mt -111.79 -176.17 2.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.404 ' C ' ' N ' ' A' ' 48' ' ' GLN . 80.8 p -88.32 142.7 27.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.8 m -44.31 -22.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.063 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.404 ' N ' ' C ' ' A' ' 46' ' ' SER . 33.9 tp60 -85.51 -45.76 11.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -46.34 -55.14 7.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.52 HG13 HD22 ' A' ' 21' ' ' LEU . 74.6 t -55.43 -42.53 67.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.461 HD21 HD11 ' A' ' 36' ' ' ILE . 12.4 mt -57.07 -38.68 73.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -79.17 -34.4 43.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.503 ' CZ3' ' HG3' ' A' ' 57' ' ' ARG . 20.7 t90 -56.58 -50.36 72.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.516 ' HE1' HD22 ' A' ' 21' ' ' LEU . 14.7 m-85 -66.3 -43.28 86.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -56.22 -41.01 74.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 m -68.11 -37.11 80.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.503 ' HG3' ' CZ3' ' A' ' 53' ' ' TRP . 1.8 mmp_? -56.29 -33.35 65.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.3 mt -52.69 149.1 11.71 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.61 0.719 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.445 ' C ' ' HD3' ' A' ' 61' ' ' PRO . 53.6 Cg_endo -69.85 177.23 5.86 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.745 2.297 . . . . 0.0 112.29 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.62 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 10.5 tt0 51.9 43.6 1.69 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.605 0.717 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 60' ' ' GLN . 53.9 Cg_endo -69.77 175.89 7.51 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.256 . . . . 0.0 112.359 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.55 177.93 4.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -60.46 139.29 57.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -153.5 139.5 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.8 t -66.25 -53.31 38.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.79 80.45 0.68 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.538 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -4.38 13.93 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.641 2.227 . . . . 0.0 112.328 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.2 t -42.51 138.75 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.6 p -126.01 162.46 25.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.897 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.477 -179.962 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.6 t -172.76 162.17 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.898 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -173.94 171.5 3.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.72 135.5 4.41 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -174.82 169.94 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.86 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 7' ' ' GLY . 68.1 p -113.78 153.87 28.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.15 -97.43 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 6' ' ' SER . 54.0 Cg_endo -69.71 130.69 19.85 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.653 2.235 . . . . 0.0 112.35 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.71 HD12 ' O ' ' A' ' 10' ' ' PRO . 4.1 pp -92.5 143.05 26.63 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.613 0.721 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.71 ' O ' HD12 ' A' ' 9' ' ' LEU . 54.1 Cg_endo -69.76 -172.12 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.751 2.3 . . . . 0.0 112.37 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.0 pt -45.27 153.47 0.55 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.567 0.699 . . . . 0.0 111.153 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.89 146.38 59.2 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 167.5 24.24 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.654 2.236 . . . . 0.0 112.421 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 168.92 20.21 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 147.09 62.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 168.74 20.82 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.623 2.216 . . . . 0.0 112.324 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -105.51 114.45 28.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.449 ' CG2' ' NE1' ' A' ' 53' ' ' TRP . 4.3 mm -91.12 -10.99 9.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.154 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.576 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 3.1 mt-30 -52.95 -45.7 97.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.662 0.744 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 19' ' ' GLN . 66.0 Cg_exo -48.07 -44.85 27.05 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.425 HD22 ' HE1' ' A' ' 54' ' ' PHE . 3.1 mt -81.4 -35.73 30.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -56.37 -48.39 76.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -68.13 -55.76 11.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -48.4 -32.64 7.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -73.69 -50.68 19.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.51 -7.66 48.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.09 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.87 -57.02 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -93.44 -40.27 10.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 68.26 40.64 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -170.11 166.15 9.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.957 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.7 tp -118.78 145.92 45.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -137.76 132.77 33.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -48.73 -21.31 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.3 p -82.08 -35.35 28.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -89.22 -9.25 51.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.537 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 2.7 mt -60.98 -57.94 22.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.578 0.704 . . . . 0.0 111.169 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 52.8 Cg_endo -69.79 -34.64 14.08 Favored 'Trans proline' 0 C--O 1.23 0.111 0 C-N-CA 122.75 2.3 . . . . 0.0 112.254 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -68.12 -44.77 75.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 42' ' ' ALA . 59.6 mt -70.14 -50.0 44.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.2 t -45.44 -38.8 6.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -68.27 -31.81 71.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 39' ' ' LEU . . . -74.85 -40.29 61.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.475 ' HB2' HD12 ' A' ' 45' ' ' LEU . 1.3 m -83.76 -5.1 59.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 60.8 35.35 19.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.475 HD12 ' HB2' ' A' ' 43' ' ' SER . 10.0 mt -115.64 -177.91 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 p -92.26 151.21 20.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 m -45.07 -34.68 2.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.194 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -76.28 -38.94 55.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.412 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 26.1 mm100 -51.28 -53.48 35.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.403 HG13 HD22 ' A' ' 21' ' ' LEU . 79.3 t -58.82 -44.36 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.0 mt -53.84 -43.06 69.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -71.38 -33.55 69.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.449 ' NE1' ' CG2' ' A' ' 18' ' ' ILE . 2.5 t90 -57.92 -59.43 5.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.425 ' HE1' HD22 ' A' ' 21' ' ' LEU . 71.9 m-85 -63.21 -37.19 86.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.833 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -60.67 -31.74 70.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 m -79.61 -19.32 49.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -87.48 -26.38 23.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.554 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 8.4 mt -53.66 -57.18 18.49 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.71 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.6 Cg_endo -69.84 99.84 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.585 2.19 . . . . 0.0 112.34 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.47 ' C ' ' O ' ' A' ' 59' ' ' PRO . 70.6 mt-30 -32.53 95.94 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.561 0.696 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.445 ' N ' ' O ' ' A' ' 59' ' ' PRO . 54.7 Cg_endo -69.73 -178.34 2.28 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.747 2.298 . . . . 0.0 112.391 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.37 106.52 18.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -69.63 145.53 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.6 m -118.23 -12.29 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.156 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -107.1 141.82 37.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -108.0 -91.97 2.22 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.515 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 101.26 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.703 2.269 . . . . 0.0 112.346 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.6 t -174.32 123.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.4 t -93.24 101.23 13.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.56 -179.961 . . . . . . . . 0 0 . 1 stop_ save_