data_2da9_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 2da9 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -87.02 138.86 31.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.9 m -133.52 128.51 35.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.1 tttm -87.78 129.06 35.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 27' ' ' LYS . 82.4 t -85.68 119.95 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.402 ' CD1' ' H ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -113.07 -24.62 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.846 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -112.82 125.99 29.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.664 0.745 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 132.39 23.37 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.677 2.251 . . . . 0.0 112.413 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.489 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 59.3 t80 -129.7 157.73 41.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.963 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -130.18 105.06 7.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.19 123.72 16.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -76.03 -43.96 41.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -124.35 166.3 16.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -44.83 -47.25 11.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.461 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 15.6 m-20 -47.08 -49.02 22.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -72.16 142.8 49.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.9 tp -103.21 143.29 32.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.7 m -90.8 117.37 29.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.1 pt -125.11 145.65 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.496 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 22.0 mmtp -116.43 167.73 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -75.61 118.61 18.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.08 34.02 3.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -143.39 144.31 32.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 mp -102.74 136.9 32.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.0 t -121.01 126.54 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.3 m -74.35 115.98 14.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.5 tp -65.09 113.72 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.6 mm -79.19 -59.88 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -137.95 143.84 40.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -74.59 165.34 25.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 10.5 t0 -98.42 161.54 13.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.572 ' O ' ' N ' ' A' ' 41' ' ' ASP . 17.6 m -51.98 163.03 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 39' ' ' CYS . 4.4 mp -32.73 -31.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.572 ' N ' ' O ' ' A' ' 39' ' ' CYS . 40.3 m-20 -69.32 124.56 24.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.8 t -88.82 153.82 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.4 -16.84 10.53 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.473 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.66 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 70.5 m95 -124.29 145.38 49.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.768 0.318 . . . . 0.0 110.93 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.66 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 11.2 m0 -161.16 154.83 22.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -116.72 133.44 56.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.69 170.13 27.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -109.78 126.33 53.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.895 0.378 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.7 tp -143.98 126.53 15.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 56.69 42.52 26.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.99 50.01 72.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -142.51 160.96 39.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -135.98 108.36 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.461 ' CA ' ' O ' ' A' ' 22' ' ' ASP . . . -155.9 165.9 32.79 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.1 m -83.06 162.98 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -161.41 153.1 16.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.633 0.73 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 107.98 1.97 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.38 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.556 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.2 t0 -46.96 -47.79 21.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.835 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -44.12 -46.93 8.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.489 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 6.7 m-85 -56.04 -38.39 70.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.0 m -103.07 177.55 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -143.1 156.45 44.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.55 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.9 mm? -90.67 126.59 36.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.4 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.878 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.846 0.355 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.482 ' CD2' HG23 ' A' ' 31' ' ' ILE . 2.8 m-85 -88.03 139.04 30.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.3 m -136.45 123.08 21.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -85.21 129.96 34.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.2 t -80.31 114.31 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -99.21 -30.93 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -113.49 131.62 22.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 133.52 25.84 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.456 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 51.8 t80 -130.43 137.05 49.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.936 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.35 105.35 13.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.73 123.11 12.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -77.57 -43.44 31.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -125.62 159.44 32.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.57 -52.62 2.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -41.45 -52.01 3.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.01 152.22 43.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.5 tp -111.64 135.53 52.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.2 m -82.54 130.33 35.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 42.9 pt -140.11 137.65 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -110.69 164.13 13.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -68.89 110.77 4.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.47 38.17 1.37 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -145.04 127.97 16.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.742 0.306 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.482 HG23 ' CD2' ' A' ' 9' ' ' TYR . 4.4 mp -90.43 136.76 23.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.0 t -119.67 124.1 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.6 m -72.56 113.06 9.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.175 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 tp -58.5 106.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.437 ' CD1' ' HB2' ' A' ' 48' ' ' GLU . 42.2 mm -73.82 -59.45 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -142.68 146.02 33.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -73.45 165.06 25.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -95.71 161.56 13.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.59 ' O ' ' N ' ' A' ' 41' ' ' ASP . 36.2 m -52.01 163.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.463 ' C ' ' O ' ' A' ' 39' ' ' CYS . 4.6 mp -32.67 -30.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -69.24 124.42 23.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.853 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.6 t -90.16 151.62 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.29 -15.09 9.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.447 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.669 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 69.3 m95 -125.89 153.23 44.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.314 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.669 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.4 m0 -164.1 155.39 15.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.955 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -116.03 139.19 50.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.3 163.51 29.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.437 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -105.77 121.7 44.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.92 0.391 . . . . 0.0 110.887 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.5 tp -135.33 116.33 14.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 56.56 41.28 28.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.3 44.63 74.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -138.99 125.51 20.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 -107.79 107.47 18.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.53 165.93 31.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.525 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.8 m -85.51 158.87 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 111.137 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.421 ' CE1' HG21 ' A' ' 61' ' ' VAL . 4.3 p90 -158.07 151.76 19.39 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.71 0.767 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.475 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 53.6 Cg_endo -69.73 117.89 5.35 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.664 2.242 . . . . 0.0 112.383 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -54.49 -24.77 21.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -65.37 -31.81 73.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.475 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 13.7 m-85 -80.24 -3.18 48.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.421 HG21 ' CE1' ' A' ' 56' ' ' PHE . 34.4 m -136.83 175.73 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -145.83 150.02 35.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.511 HD23 ' CH2' ' A' ' 45' ' ' TRP . 4.1 mm? -86.18 121.56 28.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.6 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.855 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -88.58 150.32 23.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.935 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.0 m -144.68 120.34 10.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -85.57 129.68 34.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.2 t -82.74 115.38 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.01 -28.19 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -111.13 131.26 22.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.646 0.736 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 131.93 22.26 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.718 2.278 . . . . 0.0 112.322 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.553 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 78.8 t80 -148.18 121.0 8.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -97.2 126.59 42.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.446 ' HB2' ' N ' ' A' ' 25' ' ' THR . . . -58.21 130.1 45.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.475 ' CG ' ' OE1' ' A' ' 23' ' ' GLU . 8.1 pt20 -76.38 -40.47 50.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.465 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 71.5 m-80 -135.4 163.02 30.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -38.48 -51.22 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.466 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 35.0 t0 -45.31 -57.16 4.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.475 ' OE1' ' CG ' ' A' ' 19' ' ' GLN . 3.4 mp0 -58.74 167.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 tp -123.54 129.29 50.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.446 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 1.2 m -78.03 116.41 18.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 29.9 pt -123.53 143.3 37.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -116.24 162.39 17.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -70.86 115.78 10.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.8 40.52 2.14 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -148.13 133.15 18.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.2 mp -88.24 147.64 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.3 t -130.4 120.97 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 84.9 m -70.3 108.88 4.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.1 tp -58.32 105.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.7 mm -70.68 -63.01 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -141.57 139.98 33.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -65.98 165.32 13.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 20.5 t70 -94.16 161.89 14.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.585 ' O ' ' N ' ' A' ' 41' ' ' ASP . 99.8 m -52.03 163.27 0.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.9 OUTLIER -32.05 -31.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.585 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -69.23 124.6 24.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.2 t -89.39 156.03 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.7 -16.07 14.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.547 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.662 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 66.8 m95 -125.77 151.0 47.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.782 0.325 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.662 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.9 m0 -161.71 154.25 20.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -114.35 140.91 48.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.98 170.46 31.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.442 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -113.72 123.85 50.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.7 tp -144.07 118.6 9.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 62.3 41.06 10.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.38 45.81 94.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -143.0 131.18 21.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.835 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -112.92 105.76 13.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.466 ' CA ' ' O ' ' A' ' 22' ' ' ASP . . . -149.44 166.08 29.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.7 m -82.9 161.18 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -161.66 152.02 14.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.611 0.719 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.485 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 54.2 Cg_endo -69.76 119.38 6.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -56.06 -24.27 38.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -65.24 -29.01 69.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 32.1 m-85 -84.05 -1.07 54.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 m -137.62 175.55 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -145.53 149.78 35.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.527 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.1 mm? -86.82 114.53 23.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.896 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.529 ' CD2' HG22 ' A' ' 31' ' ' ILE . 2.8 m-85 -91.0 127.54 36.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.4 m -125.25 122.26 36.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -84.67 129.6 34.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.4 t -83.85 114.27 24.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.136 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.409 ' H ' ' CD1' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -98.42 -32.22 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -112.13 127.47 26.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.677 0.751 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 131.38 21.04 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.561 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 66.1 t80 -127.49 155.65 43.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -124.21 113.4 18.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.39 106.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -67.12 -40.4 86.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -119.49 176.15 5.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -58.57 -55.0 40.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.424 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 12.4 m-20 -47.52 -45.84 26.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -58.0 148.95 24.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.5 tp -110.43 144.5 39.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.5 m -89.92 121.54 32.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.9 pt -129.62 151.75 36.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -130.46 154.15 48.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -59.7 110.05 1.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.14 41.66 0.81 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.476 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -153.34 123.52 7.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.781 0.324 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.529 HG22 ' CD2' ' A' ' 9' ' ' TYR . 4.0 mp -85.88 124.67 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.46 HG21 ' CD1' ' A' ' 49' ' ' LEU . 69.7 t -106.44 125.5 62.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.4 m -75.98 115.21 15.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.9 tp -60.15 113.36 2.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.444 ' CD1' ' HB2' ' A' ' 48' ' ' GLU . 36.5 mm -81.36 -59.73 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -138.2 135.95 36.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -67.34 165.16 16.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.415 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 27.5 t70 -99.37 161.55 13.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 41' ' ' ASP . 68.1 m -52.01 162.99 0.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.46 ' C ' ' O ' ' A' ' 39' ' ' CYS . 46.1 mm -33.08 -30.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 39' ' ' CYS . 73.7 m-20 -69.24 124.58 24.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 43' ' ' GLY . 53.9 t -88.97 150.0 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.465 ' N ' HG13 ' A' ' 42' ' ' VAL . . . 121.94 -12.85 9.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.478 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.674 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 77.1 m95 -126.17 148.8 49.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.727 0.299 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.674 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.3 m0 -165.24 152.49 10.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' HG3' ' C ' ' A' ' 54' ' ' GLY . 10.4 tt0 -117.95 128.02 54.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.39 172.86 21.97 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.444 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -112.3 123.2 49.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.859 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.46 ' CD1' HG21 ' A' ' 32' ' ' VAL . 7.4 tp -142.28 127.22 18.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 54.49 41.65 31.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.83 46.34 94.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -141.91 137.65 31.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -114.88 111.48 21.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.424 ' CA ' ' O ' ' A' ' 22' ' ' ASP . . . -154.93 164.94 32.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.4 m -84.02 163.04 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 111.124 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -162.59 153.34 14.4 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.669 0.747 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 110.21 2.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.34 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.565 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 1.6 t0 -48.49 -34.23 10.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -56.04 -34.63 66.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.561 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 8.8 m-85 -76.46 -0.07 21.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.9 m -140.58 173.65 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -144.22 151.97 40.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.568 HD23 ' CZ3' ' A' ' 45' ' ' TRP . 4.1 mm? -86.29 111.66 20.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 23.0 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.853 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -89.45 148.46 23.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.6 m -145.52 123.83 12.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -87.92 132.43 34.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.8 t -81.6 118.91 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.43 -20.94 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.163 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.424 ' HB3' ' CD2' ' A' ' 60' ' ' PHE . 9.1 m-85 -125.17 131.84 24.17 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.641 0.734 . . . . 0.0 110.853 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 116.17 4.43 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 57' ' ' PRO . 53.8 t80 -119.97 117.7 28.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -92.87 124.86 37.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.97 142.5 54.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -92.87 -44.79 8.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -122.64 164.32 18.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -41.98 -51.72 4.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -46.39 -56.37 5.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -57.66 148.73 23.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 tp -112.13 144.79 40.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.7 m -92.07 129.76 37.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.464 ' CG1' ' HB3' ' A' ' 16' ' ' TYR . 20.1 pt -132.22 125.17 53.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.5 171.8 9.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.62 104.82 13.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.56 33.84 2.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.531 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -131.48 128.33 39.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mp -85.32 135.9 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.6 t -121.05 130.17 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 62.5 m -76.39 114.38 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.6 tp -63.42 109.5 1.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.8 mm -74.92 -62.03 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -140.71 146.85 38.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -70.56 165.37 22.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.42 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 31.6 t70 -94.84 162.15 13.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.569 ' O ' ' N ' ' A' ' 41' ' ' ASP . 7.4 m -52.01 162.41 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.459 ' C ' ' O ' ' A' ' 39' ' ' CYS . 49.7 mt -32.73 -31.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.569 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -69.04 124.63 24.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.461 HG12 ' N ' ' A' ' 43' ' ' GLY . 11.6 t -88.42 150.05 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.461 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 121.71 -13.28 9.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.68 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 74.2 m95 -126.4 153.76 44.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.742 0.306 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.68 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.5 m0 -164.67 154.31 13.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -114.68 141.07 48.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -153.69 166.64 31.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.72 123.15 48.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.862 0.363 . . . . 0.0 110.932 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.2 tp -140.48 113.69 8.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.5 m120 64.15 39.39 7.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.4 45.47 85.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.526 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -140.78 126.09 18.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.88 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -107.61 105.81 15.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -151.08 165.99 30.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.442 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.9 m -84.53 160.95 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.858 0.361 . . . . 0.0 111.114 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -161.53 152.55 15.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.738 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.56 ' HG3' ' CE2' ' A' ' 16' ' ' TYR . 54.3 Cg_endo -69.73 118.29 5.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.26 . . . . 0.0 112.337 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -52.6 -34.56 51.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -54.84 -31.95 59.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.544 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 34.8 m-85 -82.29 11.36 5.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.0 m -152.62 173.52 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -143.67 150.0 38.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.531 HD21 ' CH2' ' A' ' 45' ' ' TRP . 4.0 mm? -86.42 117.93 25.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.7 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.892 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.823 0.345 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.529 ' CD2' HG22 ' A' ' 31' ' ' ILE . 3.3 m-85 -90.08 139.95 30.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.5 m -131.91 124.83 30.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -85.27 129.31 34.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.1 t -82.6 110.61 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -99.35 -31.26 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -109.26 128.26 25.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.659 0.743 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 139.06 39.12 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.652 2.235 . . . . 0.0 112.304 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -145.01 128.27 16.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -101.52 107.57 18.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.24 108.55 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -68.0 -41.38 82.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.59 154.1 27.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -49.69 -40.23 39.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.07 -48.0 71.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -64.58 156.54 29.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 tp -110.34 134.26 52.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.1 m -80.7 123.47 28.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.166 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.0 pt -130.4 138.51 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 mmtm -116.78 157.78 24.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -62.69 117.88 6.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.84 38.81 2.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -147.69 131.6 17.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.529 HG22 ' CD2' ' A' ' 9' ' ' TYR . 4.2 mp -95.44 136.82 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.0 t -119.02 123.72 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.3 m -69.25 119.98 14.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 tp -68.12 106.06 2.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.476 HD11 ' CZ ' ' A' ' 53' ' ' ARG . 47.1 mm -75.78 -61.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -137.19 142.58 42.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -71.19 165.11 24.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.422 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 30.5 t70 -96.91 161.42 13.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.56 ' O ' ' N ' ' A' ' 41' ' ' ASP . 78.9 m -51.94 162.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 39' ' ' CYS . 63.1 mt -32.38 -31.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' A' ' 39' ' ' CYS . 65.9 m-20 -69.17 124.62 24.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.4 t -88.27 156.31 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.53 -15.95 14.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.54 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.67 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 75.9 m95 -123.34 150.64 43.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.761 0.315 . . . . 0.0 110.91 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.67 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.5 m0 -165.14 152.23 10.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -114.2 136.26 53.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -153.5 166.66 31.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -100.48 129.83 46.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.5 tp -144.11 119.76 10.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 59.77 47.56 10.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.83 38.53 92.46 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -133.17 158.9 41.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.476 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -131.63 108.08 9.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.36 163.1 31.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.8 m -82.97 160.77 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.38 . . . . 0.0 111.098 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -157.38 152.94 22.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.651 0.739 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 110.38 2.55 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.345 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.555 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.2 t0 -49.86 -51.15 42.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -40.74 -43.34 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -63.18 -35.83 81.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 58' ' ' ASP . 33.2 m -102.93 175.05 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -141.68 155.17 45.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.569 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.0 mm? -89.76 117.04 28.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 71.5 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.884 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.815 0.341 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -87.43 143.56 27.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.7 m -141.2 120.5 13.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -84.71 130.52 34.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.9 t -83.43 110.61 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -95.92 -28.07 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -113.71 128.68 25.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.678 0.751 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 136.08 32.15 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -152.27 113.78 4.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -92.09 127.32 37.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.45 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -62.58 130.89 47.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -78.55 -37.0 43.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 21' ' ' ASP . 3.5 m-80 -128.46 150.28 50.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 20' ' ' ASN . 22.5 m-20 -34.14 -46.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -46.51 -58.84 3.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.45 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 3.6 mm-40 -62.86 154.36 30.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.417 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 6.5 tp -108.28 127.58 53.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.6 m -76.49 105.67 7.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.094 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.4 pt -106.57 141.31 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.136 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -118.61 160.86 21.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -67.54 122.76 18.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.77 40.94 3.97 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -146.32 117.86 8.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.323 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mp -82.28 119.13 31.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.6 t -98.66 128.67 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.8 m -77.61 109.65 11.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -58.45 107.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.7 mm -75.49 -60.94 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -141.66 146.48 36.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -71.7 165.25 24.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -94.74 161.16 14.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.588 ' O ' ' N ' ' A' ' 41' ' ' ASP . 7.1 t -51.98 163.43 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 39' ' ' CYS . 29.0 mm -32.46 -31.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' A' ' 39' ' ' CYS . 64.1 m-20 -69.26 124.32 23.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 t -89.87 151.88 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.0 -14.43 9.6 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.552 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.678 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 68.8 m95 -126.03 156.57 39.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.769 0.319 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.678 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.1 m0 -166.03 153.66 10.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -114.48 140.74 48.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.93 172.6 31.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -114.92 127.2 55.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.4 tp -141.42 119.24 11.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.8 m120 54.29 40.47 31.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.47 46.92 60.42 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 59.5 mtt85 -139.21 125.36 20.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -108.66 107.3 17.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.03 163.92 32.08 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.6 m -80.31 166.58 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.853 0.359 . . . . 0.0 111.129 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -167.27 152.21 6.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.671 0.748 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 122.0 8.69 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -59.52 -39.54 84.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.464 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 0.8 OUTLIER -51.32 -24.09 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.433 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 16.8 m-85 -89.06 18.03 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.433 ' CG1' ' O ' ' A' ' 60' ' ' PHE . 18.9 m -158.26 177.39 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -145.05 145.75 31.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.511 HD22 ' CH2' ' A' ' 45' ' ' TRP . 3.4 mm? -82.49 120.47 25.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.6 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.906 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.791 0.329 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.547 ' CD2' HG22 ' A' ' 31' ' ' ILE . 2.8 m-85 -87.09 136.78 32.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.8 m -134.0 124.77 26.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -84.95 130.33 34.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.4 t -83.46 110.54 18.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.419 HG12 ' N ' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -94.33 -32.94 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.419 ' N ' HG12 ' A' ' 13' ' ' ILE . 48.8 m-85 -109.22 128.85 24.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.743 . . . . 0.0 110.853 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.434 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 53.9 Cg_endo -69.77 128.61 16.27 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.395 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.532 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 23.0 t80 -131.12 137.61 49.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -112.14 111.2 21.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.41 ' HB3' ' C ' ' A' ' 24' ' ' LEU . . . -55.82 112.7 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -59.14 -43.26 92.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -131.28 173.1 11.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 22' ' ' ASP . 3.5 p-10 -46.81 -60.0 2.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -36.03 -52.64 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.415 ' CD ' ' OD2' ' A' ' 22' ' ' ASP . 40.2 mp0 -67.44 147.95 52.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.434 ' HG ' ' N ' ' A' ' 25' ' ' THR . 7.6 tp -102.62 149.36 24.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.434 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 19.6 m -95.32 123.32 38.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.468 ' CG1' ' HB3' ' A' ' 16' ' ' TYR . 31.2 pt -129.1 133.49 65.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -108.1 174.07 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.434 ' CG ' ' HD3' ' A' ' 15' ' ' PRO . 51.9 mt-10 -77.11 117.26 18.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.831 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.2 40.7 3.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -144.73 126.63 15.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.75 0.309 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.547 HG22 ' CD2' ' A' ' 9' ' ' TYR . 5.2 mp -90.76 135.75 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.434 ' N ' HG23 ' A' ' 31' ' ' ILE . 60.3 t -113.88 125.88 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.2 m -72.02 110.52 6.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.4 tp -59.34 109.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.1 mm -76.92 -62.16 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.133 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -140.67 144.71 35.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -70.29 165.43 22.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 17.5 t70 -95.37 162.63 13.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.58 ' O ' ' N ' ' A' ' 41' ' ' ASP . 84.3 m -51.95 163.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.455 ' C ' ' O ' ' A' ' 39' ' ' CYS . 4.7 mp -32.91 -30.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' A' ' 39' ' ' CYS . 79.2 m-20 -69.34 124.67 24.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 t -89.47 149.01 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.48 -13.9 8.77 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.66 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 72.6 m95 -126.69 150.2 49.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.773 0.32 . . . . 0.0 110.919 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.66 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 11.1 m0 -160.91 155.15 23.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -115.74 142.35 46.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.0 172.94 31.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.541 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -116.17 128.38 55.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.0 tp -144.01 112.92 6.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 61.02 46.48 8.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.95 39.82 98.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.5 mmt-85 -132.61 133.92 44.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.819 0.342 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.462 ' CZ ' ' HB2' ' A' ' 53' ' ' ARG . 17.2 mtm105 -115.61 109.97 18.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.43 163.37 30.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.5 m -85.98 158.2 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -157.66 149.83 17.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.647 0.736 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.515 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 53.8 Cg_endo -69.74 120.81 7.54 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.638 2.225 . . . . 0.0 112.356 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -55.46 -31.36 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -59.14 -27.75 65.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.532 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 23.7 m-85 -83.86 -4.76 58.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.0 m -135.89 174.79 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -143.56 149.35 37.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.56 HD22 ' CZ3' ' A' ' 45' ' ' TRP . 4.0 mm? -86.81 114.13 23.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.4 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.876 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.816 0.341 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.563 ' CD2' HG22 ' A' ' 31' ' ' ILE . 2.7 m-85 -87.03 127.39 35.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.0 m -125.79 130.65 51.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -86.2 129.6 34.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.6 t -87.33 106.57 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.446 HG12 ' N ' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -94.36 -34.46 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.446 ' N ' HG12 ' A' ' 13' ' ' ILE . 15.4 m-85 -106.24 129.09 25.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.678 0.751 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 140.88 43.54 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.469 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 86.4 t80 -146.8 140.33 25.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -112.74 120.75 42.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.421 ' HB3' ' C ' ' A' ' 24' ' ' LEU . . . -62.16 110.25 1.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -68.99 -41.83 77.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -118.99 156.39 29.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -39.53 -55.53 1.8 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -44.65 -55.65 5.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -53.8 146.31 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 25' ' ' THR . 7.5 tp -104.72 151.1 24.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.462 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 20.0 m -95.86 113.36 24.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 29.9 pt -121.3 145.77 27.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -123.72 158.97 30.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -66.99 116.9 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.98 42.5 1.93 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -154.16 137.18 15.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.726 0.298 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.563 HG22 ' CD2' ' A' ' 9' ' ' TYR . 4.7 mp -96.11 141.68 15.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.6 t -124.49 136.08 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.8 m -78.28 117.78 19.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 tp -64.57 114.06 4.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.472 ' CD1' ' HB2' ' A' ' 48' ' ' GLU . 18.1 mm -77.18 -53.95 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -151.49 150.85 30.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -75.31 165.26 25.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.423 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 31.7 t70 -98.83 161.73 13.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.845 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.578 ' O ' ' N ' ' A' ' 41' ' ' ASP . 81.0 m -51.98 163.43 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 39' ' ' CYS . 24.1 mt -33.17 -29.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.578 ' N ' ' O ' ' A' ' 39' ' ' CYS . 76.2 m-20 -69.17 124.47 23.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.5 t -89.88 147.4 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.8 -11.09 8.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.678 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 84.1 m95 -126.58 150.79 48.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.759 0.314 . . . . 0.0 110.928 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.678 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.5 m0 -164.96 154.52 13.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -117.24 123.44 46.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -134.11 160.25 24.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.51 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.472 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . 15.5 tt0 -109.26 128.54 55.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 0.0 110.856 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 tp -142.98 125.91 16.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 62.57 33.11 16.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.26 31.92 56.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.457 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 -143.19 120.69 11.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.796 0.332 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -106.56 123.46 48.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.62 166.41 31.27 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.0 m -79.04 152.34 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 56' ' ' PHE . 4.5 p90 -158.84 153.32 20.47 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.681 0.753 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 107.02 1.77 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.313 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.559 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.3 t0 -44.36 -51.57 8.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -37.71 -47.6 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.469 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 6.6 m-85 -58.06 -39.0 77.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 58' ' ' ASP . 31.9 m -102.8 177.94 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -145.31 157.3 44.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.562 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.6 mm? -89.19 133.62 34.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 36.6 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.867 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.804 0.335 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -87.06 146.68 26.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.4 m -144.42 118.65 9.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -84.29 129.62 34.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.6 t -83.11 107.2 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.437 HG12 ' N ' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -94.09 -32.47 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.437 ' N ' HG12 ' A' ' 13' ' ' ILE . 80.1 m-85 -107.97 123.43 37.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.645 0.735 . . . . 0.0 110.878 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 138.38 37.65 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.303 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.56 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 76.9 t80 -141.2 154.07 45.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -121.05 116.52 25.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.4 102.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.412 ' HG3' ' N ' ' A' ' 20' ' ' ASN . 1.3 pt20 -54.87 -35.9 64.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.412 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 2.3 m-80 -137.79 164.14 29.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -47.83 -41.78 24.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -50.02 -46.46 52.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -74.75 160.2 31.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 25' ' ' THR . 6.1 tp -111.85 150.56 30.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.451 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 21.6 m -90.86 130.94 36.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.186 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.0 pt -139.88 138.12 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -120.94 162.12 20.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.26 116.9 8.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.05 40.3 1.99 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.522 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -151.27 122.94 7.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.5 mp -87.44 125.15 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 81.5 t -103.28 126.41 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.7 m -74.45 111.61 9.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.7 tp -60.91 107.19 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.6 mm -74.54 -61.7 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -140.35 149.01 42.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -74.03 164.43 26.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 22.7 t70 -94.06 162.45 13.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.577 ' O ' ' N ' ' A' ' 41' ' ' ASP . 4.6 t -51.99 162.95 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.461 ' C ' ' O ' ' A' ' 39' ' ' CYS . 49.3 mm -32.59 -31.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' A' ' 39' ' ' CYS . 79.8 m-20 -69.05 124.59 24.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -89.22 150.29 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.73 -13.98 9.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.673 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 76.4 m95 -126.43 151.14 48.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.756 0.312 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.673 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 11.1 m0 -161.79 154.37 20.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -114.54 138.31 50.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.31 166.42 30.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.17 124.05 49.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.878 0.371 . . . . 0.0 110.918 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.0 tp -141.55 111.64 6.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 66.4 40.2 3.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.13 45.5 91.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -141.13 131.75 25.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.4 mtp85 -110.54 105.97 15.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -150.48 161.26 28.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.4 m -81.61 161.43 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 111.132 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -160.78 152.27 16.17 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.621 0.724 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 117.6 5.18 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -54.26 -33.15 57.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -56.43 -33.56 65.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 15.9 m-85 -78.32 -2.02 36.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.68 176.23 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -144.96 148.8 34.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.604 ' CD2' ' CZ3' ' A' ' 45' ' ' TRP . 4.2 mm? -84.57 111.93 19.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.7 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 179.867 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.508 ' CD2' HG22 ' A' ' 31' ' ' ILE . 3.2 m-85 -86.99 121.67 29.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 79.4 m -118.86 129.89 55.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -88.03 129.04 35.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.8 t -85.68 107.74 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.415 ' H ' ' CD1' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -93.73 -33.55 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -106.23 122.07 43.39 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.728 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 124.36 11.02 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.637 2.225 . . . . 0.0 112.345 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.537 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 80.3 t80 -125.34 142.93 51.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -112.51 110.79 21.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.409 ' HB3' ' C ' ' A' ' 24' ' ' LEU . . . -54.54 102.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.452 ' HG3' ' ND2' ' A' ' 20' ' ' ASN . 4.7 tp60 -55.52 -43.4 75.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.452 ' ND2' ' HG3' ' A' ' 19' ' ' GLN . 33.3 m-80 -126.57 172.93 9.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -53.04 -47.03 68.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.03 -55.29 4.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -66.15 156.66 33.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 25' ' ' THR . 4.6 tp -108.59 147.62 31.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.427 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 62.5 m -89.77 118.42 29.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.0 pt -126.07 140.66 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -114.63 158.24 22.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -64.34 123.83 20.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.38 41.35 4.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.456 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -141.59 133.14 26.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.508 HG22 ' CD2' ' A' ' 9' ' ' TYR . 3.9 mp -92.52 136.36 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.465 ' N ' HG23 ' A' ' 31' ' ' ILE . 96.7 t -121.79 123.94 70.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.151 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.7 m -72.45 111.74 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.3 tp -59.22 106.4 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.7 mm -72.09 -62.1 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.142 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -141.41 140.05 33.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -65.73 165.28 12.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 33.4 t70 -93.67 161.92 14.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.573 ' O ' ' N ' ' A' ' 41' ' ' ASP . 68.0 m -51.93 162.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.461 ' C ' ' O ' ' A' ' 39' ' ' CYS . 35.4 mm -32.3 -32.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 39' ' ' CYS . 71.4 m-20 -68.67 124.66 24.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 43' ' ' GLY . 60.0 t -89.35 151.04 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.471 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 121.68 -15.9 9.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.464 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.665 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 58.8 m95 -126.15 155.73 41.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.733 0.301 . . . . 0.0 110.953 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.665 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.4 m0 -165.41 159.61 17.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -119.63 137.25 53.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.838 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.73 163.18 29.3 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -103.67 130.24 51.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.503 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 6.3 tp -144.04 125.47 14.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 49' ' ' LEU . 9.9 p30 51.98 32.33 9.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.5 46.86 17.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -142.96 131.68 22.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -110.07 111.46 22.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.99 162.78 31.51 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.6 m -80.83 165.04 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.436 ' C ' ' CD1' ' A' ' 56' ' ' PHE . 4.5 p90 -167.11 152.82 7.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.669 0.747 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.429 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 53.4 Cg_endo -69.75 116.44 4.56 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.319 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.561 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.6 t0 -52.35 -33.93 45.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -58.41 -23.91 58.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.537 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 10.9 m-85 -86.84 2.04 50.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 35.1 m -141.62 172.53 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.469 ' CG ' HD22 ' A' ' 64' ' ' LEU . 11.8 ptmt -136.65 152.24 50.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.91 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.569 HD22 ' CZ3' ' A' ' 45' ' ' TRP . 3.9 mm? -90.96 106.13 18.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.469 HD22 ' CG ' ' A' ' 62' ' ' LYS . 17.0 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.807 0.337 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.544 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.8 m-85 -87.19 130.44 34.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.4 m -123.71 130.19 52.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -87.64 129.87 34.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.9 t -87.44 107.93 17.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -95.29 -31.81 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -108.4 121.87 42.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.668 0.747 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 135.39 30.36 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.245 . . . . 0.0 112.332 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.496 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 61.1 t80 -143.12 144.88 32.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -110.1 131.2 55.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.18 104.57 5.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 20' ' ' ASN . 6.1 pt20 -59.34 -38.11 79.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.441 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 65.5 m-80 -127.34 173.35 9.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.55 -45.64 81.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -45.74 -60.28 2.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -60.41 155.14 18.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 25' ' ' THR . 6.1 tp -108.64 148.96 29.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.435 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 63.4 m -91.63 112.1 23.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.3 pt -119.11 137.23 53.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 27' ' ' LYS . 1.8 mppt? -113.8 161.06 18.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -64.63 120.26 12.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.99 44.76 4.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -145.3 125.41 13.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.801 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.544 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.0 mp -90.21 132.55 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.455 ' CG2' ' HB2' ' A' ' 49' ' ' LEU . 60.1 t -117.08 127.05 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.14 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.5 m -70.53 115.9 10.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -59.48 117.59 5.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 48' ' ' GLU . 20.6 mm -80.91 -55.37 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -152.51 145.46 24.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -68.76 165.14 20.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.417 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 33.2 t70 -97.08 161.54 13.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.579 ' O ' ' N ' ' A' ' 41' ' ' ASP . 3.5 m -51.98 163.25 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.467 ' C ' ' O ' ' A' ' 39' ' ' CYS . 4.6 mp -32.55 -30.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' A' ' 39' ' ' CYS . 69.1 m-20 -69.39 124.51 24.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.1 t -89.47 151.84 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.18 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.39 -13.26 10.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.676 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 72.7 m95 -125.98 154.12 43.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.78 0.324 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.676 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.4 m0 -165.95 152.1 9.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -114.56 119.67 37.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -132.7 159.41 23.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.461 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . 5.4 tt0 -109.32 129.95 55.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.893 0.378 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.471 ' HG ' ' ND2' ' A' ' 50' ' ' ASN . 6.2 tp -144.09 124.72 14.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.471 ' ND2' ' HG ' ' A' ' 49' ' ' LEU . 76.7 m-20 63.41 34.55 12.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.71 31.11 60.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -143.01 120.88 11.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.775 0.321 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -108.72 125.26 51.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.11 165.85 31.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.5 m -79.87 141.66 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.832 0.348 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.428 ' C ' ' CD1' ' A' ' 56' ' ' PHE . 4.5 p90 -148.1 153.37 41.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.634 0.731 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 106.76 1.72 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 61' ' ' VAL . 1.7 t0 -41.11 -53.04 3.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' ASP . 7.0 t-20 -37.38 -49.58 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.496 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 8.0 m-85 -55.94 -39.22 71.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 58' ' ' ASP . 26.3 m -102.64 178.19 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -146.74 157.34 43.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.561 HD22 ' CZ3' ' A' ' 45' ' ' TRP . 3.5 mm? -89.12 126.96 35.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 57.5 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.924 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.823 0.344 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -88.9 134.58 33.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.7 m -132.4 125.42 30.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -87.36 133.01 33.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.3 t -87.51 118.99 34.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.415 ' H ' ' CD1' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -106.39 -29.97 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -109.75 128.0 26.16 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 125.56 12.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.242 . . . . 0.0 112.335 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.569 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 10.3 t80 -127.7 144.23 51.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -115.1 117.55 30.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.16 104.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -63.98 -41.5 97.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 21' ' ' ASP . 7.5 m120 -118.61 136.4 53.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' ASN . 3.9 p-10 -34.37 -41.28 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -54.55 -54.78 36.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.561 ' CD ' ' CG2' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -52.83 176.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.897 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' HG ' ' N ' ' A' ' 25' ' ' THR . 3.3 tp -123.56 149.33 45.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.453 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 26.8 m -96.85 128.33 43.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.157 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.8 pt -131.49 152.44 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -131.97 161.97 31.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -59.87 126.21 26.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.86 45.53 5.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.448 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -146.8 111.49 5.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.77 0.319 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.5 mp -84.04 124.18 39.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.7 t -108.73 122.51 63.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.0 m -67.59 109.99 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tp -58.92 113.06 1.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.0 mm -80.18 -59.4 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -140.52 141.43 35.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -68.35 165.22 19.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -97.51 161.62 13.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 41' ' ' ASP . 54.5 m -52.03 163.15 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' CYS . 4.7 mp -32.56 -30.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 39' ' ' CYS . 67.4 m-20 -69.27 124.52 24.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 43' ' ' GLY . 78.7 t -89.35 155.09 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.409 ' N ' HG13 ' A' ' 42' ' ' VAL . . . 116.97 -13.86 14.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.662 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 67.7 m95 -126.07 153.8 43.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.704 0.288 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.662 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.3 m0 -166.0 151.94 9.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -113.68 123.77 50.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -136.61 168.03 24.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -109.74 123.45 49.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.2 tp -136.81 119.93 16.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 56.09 40.54 30.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.45 41.89 83.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 47.8 mtt85 -140.25 123.57 16.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.852 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -107.55 107.24 17.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -147.95 165.83 28.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.561 ' CG2' ' CD ' ' A' ' 23' ' ' GLU . 27.8 m -83.25 144.51 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.861 0.362 . . . . 0.0 111.162 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -143.87 153.25 57.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.691 0.758 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 107.95 1.97 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.371 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.54 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 1.4 t0 -49.83 -48.48 50.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -43.53 -43.85 5.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.569 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 9.9 m-85 -60.4 -36.78 78.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.5 m -102.96 174.88 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -140.01 152.34 46.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.617 ' CD2' ' CZ3' ' A' ' 45' ' ' TRP . 3.4 mm? -85.7 122.4 29.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.6 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.882 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.801 0.334 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -89.14 153.44 20.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.4 m -147.32 130.97 16.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -91.35 129.13 37.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' A' ' 30' ' ' ASP . 94.9 t -83.77 105.48 13.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.459 ' H ' ' CD1' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -98.87 -30.25 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.419 ' N ' HG12 ' A' ' 13' ' ' ILE . 32.3 m-85 -107.59 131.46 21.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.646 0.736 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 134.51 28.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.652 2.235 . . . . 0.0 112.302 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.559 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 4.5 t80 -145.66 132.75 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -104.87 133.22 50.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.99 132.56 43.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.43 ' HG3' ' ND2' ' A' ' 20' ' ' ASN . 4.2 tp-100 -79.74 -45.68 18.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.43 ' ND2' ' HG3' ' A' ' 19' ' ' GLN . 30.5 m-80 -133.01 173.1 11.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -44.86 -44.12 9.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.489 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 1.7 m-20 -53.43 -52.31 59.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.1 mp0 -66.75 146.86 54.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.4 tp -112.16 143.06 43.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.428 ' C ' HG22 ' A' ' 26' ' ' ILE . 75.2 m -85.54 138.01 32.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.428 HG22 ' C ' ' A' ' 25' ' ' THR . 32.0 pt -147.07 134.01 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.11 163.46 16.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -63.19 113.64 3.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.402 ' O ' ' OD1' ' A' ' 30' ' ' ASP . . . 108.44 36.81 2.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.472 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.43 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 1.0 OUTLIER -143.54 124.33 14.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.452 HD13 ' N ' ' A' ' 31' ' ' ILE . 4.2 mp -91.6 131.53 38.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.4 t -117.12 132.1 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.8 m -80.65 112.48 18.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.5 tp -59.97 111.14 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.2 mm -77.21 -60.75 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -136.34 146.45 46.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -76.86 165.19 25.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 21.3 t70 -98.82 161.78 13.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 41' ' ' ASP . 17.6 m -52.05 163.03 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 39' ' ' CYS . 41.4 mm -32.97 -30.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -69.32 124.7 24.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.859 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.437 HG11 ' N ' ' A' ' 43' ' ' GLY . 71.5 t -88.83 154.44 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.088 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.437 ' N ' HG11 ' A' ' 42' ' ' VAL . . . 118.32 -15.79 11.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.671 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 74.2 m95 -124.46 146.41 48.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.671 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.9 m0 -162.75 152.76 16.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -114.51 136.58 52.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.3 167.38 28.49 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.16 127.62 53.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.917 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.0 tp -144.08 124.01 13.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 54.69 43.79 29.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.04 42.02 99.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.433 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -140.91 131.5 25.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -111.74 110.5 20.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 22' ' ' ASP . . . -151.61 163.27 29.92 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.2 m -81.25 158.6 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 111.09 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.425 ' C ' ' CD1' ' A' ' 56' ' ' PHE . 5.4 p90 -157.37 152.88 22.19 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.643 0.735 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.47 ' HG3' ' CD2' ' A' ' 16' ' ' TYR . 53.6 Cg_endo -69.76 110.91 2.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.303 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.567 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 1.9 t0 -50.72 -49.45 57.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -42.18 -42.79 3.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.559 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 9.4 m-85 -62.53 -36.54 82.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 58' ' ' ASP . 34.4 m -103.82 177.85 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -142.8 157.45 44.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.533 ' CD2' ' CZ3' ' A' ' 45' ' ' TRP . 3.5 mm? -89.32 121.55 31.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.4 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.87 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.82 0.343 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -87.47 126.02 34.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.971 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.6 m -124.91 128.55 48.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.4 tttp -85.18 132.09 34.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.419 ' CG1' HD13 ' A' ' 26' ' ' ILE . 95.5 t -88.89 108.19 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -100.73 -27.81 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -110.78 129.74 23.64 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.633 0.73 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 139.72 41.06 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.553 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 87.6 t80 -143.04 118.18 10.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -94.55 110.16 22.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.91 131.69 51.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -90.57 -41.3 11.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -114.01 167.7 10.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -53.31 -45.53 69.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -53.4 -51.28 63.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -59.59 140.54 56.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.6 tp -101.04 144.59 29.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.9 m -92.68 111.99 23.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.419 HD13 ' CG1' ' A' ' 12' ' ' VAL . 34.8 pt -123.68 141.94 42.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -121.4 156.35 32.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -59.73 112.88 1.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.84 40.33 1.1 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -153.98 134.44 13.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 mp -94.75 141.2 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.149 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.1 t -123.23 128.45 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.1 m -75.08 113.55 12.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -61.87 107.41 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.7 mm -73.17 -58.72 4.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -148.06 149.24 31.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -69.65 165.19 21.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -91.74 162.2 14.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.577 ' O ' ' N ' ' A' ' 41' ' ' ASP . 63.0 m -51.98 162.86 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 39' ' ' CYS . 22.0 mt -32.03 -32.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' A' ' 39' ' ' CYS . 9.6 m-20 -69.17 124.48 23.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.3 t -88.57 150.65 3.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.59 -14.06 9.29 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.451 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.669 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 69.6 m95 -126.33 158.25 36.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.771 0.319 . . . . 0.0 110.914 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.669 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.5 m0 -164.1 153.41 13.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -112.87 130.02 56.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.93 160.4 27.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.521 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -108.2 120.68 43.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.916 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.9 tp -128.89 111.0 12.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 66.78 32.38 6.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.84 -23.17 18.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -84.42 121.14 27.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 6.2 ttp-105 -106.71 123.92 48.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.16 164.82 32.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.5 m -79.47 159.9 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 111.09 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.421 ' C ' ' CD1' ' A' ' 56' ' ' PHE . 3.8 p90 -163.5 152.48 12.15 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.669 0.747 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.45 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 53.5 Cg_endo -69.78 119.6 6.52 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.336 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -54.64 -43.43 72.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.489 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 17.2 t-20 -48.29 -36.73 14.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 10.5 m-85 -67.18 -38.52 85.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' A' ' 58' ' ' ASP . 17.9 m -103.45 179.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -144.28 154.92 43.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.472 HD21 ' CH2' ' A' ' 45' ' ' TRP . 3.7 mm? -90.22 125.16 35.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.4 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.865 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 t70 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.484 ' CD2' HG22 ' A' ' 31' ' ' ILE . 2.7 m-85 -86.92 129.2 34.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.8 m -127.7 127.62 44.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -84.11 129.85 34.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 30' ' ' ASP . 76.7 t -87.41 106.84 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.116 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.41 HG12 ' N ' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -99.56 -30.64 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.41 ' N ' HG12 ' A' ' 13' ' ' ILE . 20.9 m-85 -106.88 121.7 44.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.645 0.736 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 133.4 25.47 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.374 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -126.48 157.28 39.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.957 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -127.12 107.28 9.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.65 115.3 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 20' ' ' ASN . 1.9 pt20 -72.42 -34.45 67.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.458 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 4.1 m-80 -134.61 166.79 22.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -47.92 -55.55 9.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -40.29 -45.34 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -72.58 149.43 44.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 tp -107.58 140.36 40.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.4 m -92.76 137.08 32.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.1 pt -143.19 151.14 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.65 161.84 19.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -69.87 111.07 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.93 39.42 1.07 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.403 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 14.3 m-20 -149.03 132.86 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.761 0.315 . . . . 0.0 110.847 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.484 HG22 ' CD2' ' A' ' 9' ' ' TYR . 4.8 mp -94.76 131.08 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.2 t -110.31 128.3 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.3 m -75.75 112.03 11.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.3 tp -58.49 107.49 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 48' ' ' GLU . 48.0 mm -73.16 -59.23 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -144.56 144.71 31.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -70.12 165.19 22.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -95.23 161.9 13.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.598 ' O ' ' N ' ' A' ' 41' ' ' ASP . 23.4 m -52.09 163.57 0.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 39' ' ' CYS . 60.1 mt -32.52 -30.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.598 ' N ' ' O ' ' A' ' 39' ' ' CYS . 3.7 m-20 -69.17 124.5 23.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.832 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.1 t -90.6 152.24 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.81 -15.41 9.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.661 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 62.8 m95 -126.21 155.87 41.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.74 0.305 . . . . 0.0 110.944 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.661 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.1 m0 -164.16 153.57 13.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -113.77 128.2 56.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.49 164.14 26.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . 11.7 tt0 -106.89 127.96 53.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.87 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.8 tp -144.1 116.76 8.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 58.99 39.57 23.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.58 48.32 57.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.474 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -142.99 127.6 18.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.89 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -109.77 107.61 17.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.3 165.1 30.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.4 m -83.15 165.56 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 56' ' ' PHE . 4.4 p90 -167.24 153.23 7.52 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.686 0.755 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 116.05 4.37 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.389 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -53.46 -45.81 69.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.492 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 5.2 p-10 -44.85 -39.91 5.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -63.35 -38.52 91.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' A' ' 58' ' ' ASP . 19.3 m -103.56 177.26 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -142.47 151.02 41.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.571 HD23 ' CZ3' ' A' ' 45' ' ' TRP . 4.2 mm? -88.17 128.62 35.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.923 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.8 t0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.775 0.321 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -89.62 131.24 35.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.7 m -126.65 126.43 43.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.0 tttt -84.25 131.68 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.416 HG13 ' CD1' ' A' ' 26' ' ' ILE . 57.5 t -89.74 117.03 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.162 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.56 -30.84 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.464 ' HB3' ' CD2' ' A' ' 60' ' ' PHE . 8.1 m-85 -107.41 125.05 33.27 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.662 0.744 . . . . 0.0 110.828 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 134.54 28.2 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.386 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.43 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 78.0 t80 -143.45 138.55 29.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -110.25 123.59 50.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.29 125.46 25.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.452 ' HG3' ' N ' ' A' ' 20' ' ' ASN . 7.5 pt20 -81.22 -38.93 26.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.452 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 41.2 m-80 -120.81 167.47 12.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -54.55 -44.89 73.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.431 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 21.5 t0 -52.31 -47.89 65.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -67.6 145.24 55.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 tp -102.22 140.04 37.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.7 m -88.5 118.31 28.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.416 ' CD1' HG13 ' A' ' 12' ' ' VAL . 38.1 pt -122.29 136.34 59.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -115.43 168.11 10.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -72.57 107.3 5.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.35 36.16 1.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -142.79 139.03 30.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.809 0.337 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.4 mp -102.83 125.85 57.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.464 ' CG1' ' HA3' ' A' ' 47' ' ' GLY . 99.0 t -98.51 151.26 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.4 m -102.55 108.68 20.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 tp -57.61 104.35 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.4 mt -83.62 -55.75 6.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -134.63 138.63 44.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -73.96 165.3 25.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.402 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 13.6 t70 -102.12 161.51 13.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.586 ' O ' ' N ' ' A' ' 41' ' ' ASP . 2.7 m -52.05 163.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 39' ' ' CYS . 23.8 mt -33.28 -29.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 39' ' ' CYS . 17.5 m-20 -69.17 124.53 24.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 82.6 t -89.32 153.69 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.4 -13.3 12.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.667 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 76.2 m95 -126.12 149.77 48.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.735 0.302 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.667 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 9.9 m0 -166.4 159.59 14.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -117.77 136.99 53.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.464 ' HA3' ' CG1' ' A' ' 32' ' ' VAL . . . -153.94 173.05 32.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.519 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -110.01 128.41 55.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.379 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.2 tp -144.09 116.51 8.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 62.24 42.06 9.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.94 43.62 97.21 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -141.37 130.08 22.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.323 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -108.46 106.22 16.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.431 ' CA ' ' O ' ' A' ' 22' ' ' ASP . . . -153.22 166.11 31.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 36.0 m -79.16 158.91 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.36 . . . . 0.0 111.187 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 56' ' ' PHE . 6.2 p90 -155.83 152.84 24.82 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.659 0.742 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 106.88 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.682 2.255 . . . . 0.0 112.351 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.472 ' CG ' ' CZ3' ' A' ' 45' ' ' TRP . 4.0 t0 -48.18 -48.78 34.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -43.3 -46.18 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.464 ' CD2' ' HB3' ' A' ' 14' ' ' PHE . 10.3 m-85 -57.55 -37.76 73.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.2 m -103.36 177.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -142.48 158.8 43.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.581 HD22 ' CZ3' ' A' ' 45' ' ' TRP . 2.9 mm? -89.41 122.16 32.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.6 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.967 179.839 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.828 0.346 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.487 ' CD2' HG23 ' A' ' 31' ' ' ILE . 2.8 m-85 -87.02 128.07 35.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.4 m -125.26 127.27 46.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -86.88 129.57 34.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.8 t -85.12 112.33 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -103.26 -26.85 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -112.35 122.88 35.44 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.645 0.736 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 136.18 32.36 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.553 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 80.3 t80 -138.62 139.37 38.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -107.44 111.72 24.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.47 136.98 57.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.116 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -84.85 -47.92 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -130.98 170.66 14.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -44.92 -42.64 8.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -50.34 -47.97 55.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -76.28 147.76 38.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 25' ' ' THR . 6.9 tp -104.85 150.85 24.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.465 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 19.8 m -96.6 128.15 43.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.0 pt -137.09 140.83 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -116.49 169.2 9.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -73.27 116.5 13.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.49 40.86 2.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -148.23 132.86 17.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.328 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.487 HG23 ' CD2' ' A' ' 9' ' ' TYR . 4.3 mp -96.96 132.59 41.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.0 t -116.58 126.86 74.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.8 m -71.07 127.02 31.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tp -72.99 111.61 8.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.7 mm -78.1 -61.55 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -136.88 146.52 45.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -74.73 165.31 25.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 29.2 t70 -99.57 162.76 12.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 41' ' ' ASP . 2.4 m -51.93 162.76 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' CYS . 49.9 mm -34.29 -28.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.567 ' N ' ' O ' ' A' ' 39' ' ' CYS . 80.8 m-20 -68.87 124.78 24.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.0 t -88.71 146.62 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.33 -11.39 9.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.522 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.667 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 86.9 m95 -126.6 146.68 50.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.667 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.8 m0 -163.0 154.81 17.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -117.36 133.04 56.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.0 171.55 26.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.4 127.32 55.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 34.1 tp -141.56 114.34 8.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 62.25 41.13 10.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.93 41.78 95.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.461 ' HA ' ' CZ ' ' A' ' 52' ' ' ARG . 1.5 mmp_? -137.44 130.7 30.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.777 0.322 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.0 mtm-85 -109.65 110.93 22.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.13 162.86 31.62 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.0 m -79.38 165.58 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 56' ' ' PHE . 4.9 p90 -165.99 153.16 9.1 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.676 0.75 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 111.97 2.96 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.707 2.271 . . . . 0.0 112.345 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.571 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.7 t0 -50.05 -46.62 53.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.832 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -45.74 -43.09 12.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 5.7 m-85 -59.92 -37.43 79.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 58' ' ' ASP . 18.1 m -103.34 174.99 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.9 ttmm -138.65 153.36 48.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.944 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.534 ' CD2' ' CZ3' ' A' ' 45' ' ' TRP . 4.1 mm? -89.01 106.77 18.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.876 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.4 t0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.82 0.343 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.482 ' CD2' HG23 ' A' ' 31' ' ' ILE . 3.4 m-85 -88.17 125.15 34.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.8 m -121.29 126.64 50.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -83.92 129.1 34.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.0 t -87.38 107.77 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.167 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.422 HG12 ' N ' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -99.97 -32.24 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.422 ' N ' HG12 ' A' ' 13' ' ' ILE . 49.1 m-85 -103.76 124.75 36.75 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.659 0.743 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 128.54 16.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.488 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 72.2 t80 -130.04 153.58 48.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -121.86 115.03 21.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.74 137.66 54.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.424 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 27.5 tp60 -78.52 -45.56 21.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -144.87 175.35 10.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -40.57 -37.85 0.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.85 -46.22 90.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.424 ' CD ' ' HB3' ' A' ' 19' ' ' GLN . 33.5 mt-10 -74.23 144.14 44.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.458 ' HG ' ' N ' ' A' ' 25' ' ' THR . 5.8 tp -104.46 150.4 24.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.458 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 90.8 m -97.77 136.32 38.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.427 ' N ' HG22 ' A' ' 25' ' ' THR . 22.7 pt -142.79 134.09 24.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -116.32 153.12 32.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -57.77 109.83 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.72 40.27 0.86 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -154.12 136.31 14.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.482 HG23 ' CD2' ' A' ' 9' ' ' TYR . 3.8 mp -98.4 137.17 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.171 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.472 ' N ' HG21 ' A' ' 31' ' ' ILE . 49.5 t -119.93 122.04 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.3 m -70.67 114.71 9.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.0 tp -62.52 110.23 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.3 mm -76.65 -58.55 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -137.59 143.96 41.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.8 mttp -74.75 164.7 26.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.41 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 11.7 t70 -98.95 161.57 13.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.581 ' O ' ' N ' ' A' ' 41' ' ' ASP . 95.4 m -52.02 163.15 0.38 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 39' ' ' CYS . 28.0 mt -33.05 -30.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 39' ' ' CYS . 1.8 m-20 -69.27 124.5 24.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 43' ' ' GLY . 66.4 t -89.39 153.19 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.458 ' N ' HG13 ' A' ' 42' ' ' VAL . . . 120.0 -15.85 10.21 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.67 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 76.1 m95 -123.57 150.93 43.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.745 0.307 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.67 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.2 m0 -166.53 152.57 8.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -116.01 132.67 56.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.07 169.04 26.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -108.21 125.32 51.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.899 0.381 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.3 tp -136.87 120.21 16.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 52.81 41.1 31.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.8 42.2 80.06 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -136.64 126.99 26.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.331 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.1 mtm-85 -109.46 107.75 18.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.89 160.66 29.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.467 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.9 m -79.59 152.04 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 111.135 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -151.28 152.87 31.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 112.75 3.16 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.565 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 1.3 t0 -52.33 -49.53 64.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -42.04 -40.36 2.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.488 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 7.4 m-85 -65.09 -36.89 85.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 58' ' ' ASP . 13.2 m -102.85 174.39 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.096 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -139.98 155.81 46.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.515 ' CD2' ' CZ3' ' A' ' 45' ' ' TRP . 3.7 mm? -89.29 121.04 31.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.5 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.919 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.455 ' CD2' HG23 ' A' ' 31' ' ' ILE . 2.9 m-85 -87.66 142.29 27.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.7 m -139.11 126.21 21.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -87.82 130.48 34.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.5 t -82.44 111.7 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.43 HG12 ' N ' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -99.81 -28.23 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.43 ' N ' HG12 ' A' ' 13' ' ' ILE . 11.2 m-85 -111.67 126.68 28.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 120.54 7.31 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.325 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.556 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 76.5 t80 -122.91 142.91 50.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -116.47 114.98 24.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.41 ' HB1' ' C ' ' A' ' 23' ' ' GLU . . . -56.27 134.4 53.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -88.09 -39.89 14.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -129.43 156.28 44.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -39.65 -37.53 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.85 -50.35 70.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.41 ' C ' ' HB1' ' A' ' 18' ' ' ALA . 23.5 mt-10 -67.66 153.96 42.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 25' ' ' THR . 7.7 tp -108.57 150.57 27.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.445 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 99.2 m -92.73 130.19 38.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.3 pt -139.7 140.7 36.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.55 149.18 47.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -54.67 114.65 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.32 39.4 1.24 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.526 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -153.59 130.9 11.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.83 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.455 HG23 ' CD2' ' A' ' 9' ' ' TYR . 4.5 mp -94.43 125.61 47.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.8 t -106.21 126.7 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.6 m -74.42 118.13 17.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.6 tp -66.99 112.77 4.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.457 HG22 ' ND2' ' A' ' 36' ' ' ASN . 35.4 mm -79.43 -60.73 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.457 ' ND2' HG22 ' A' ' 35' ' ' ILE . 63.5 m-80 -137.54 146.8 44.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -74.87 165.87 24.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 14.3 t70 -98.2 162.2 13.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.545 ' O ' ' N ' ' A' ' 41' ' ' ASP . 79.8 m -51.93 162.8 0.4 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.473 ' C ' ' O ' ' A' ' 39' ' ' CYS . 72.5 mt -32.07 -33.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.545 ' N ' ' O ' ' A' ' 39' ' ' CYS . 37.5 m-20 -68.19 124.66 24.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.4 t -88.17 154.7 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.21 -18.75 10.22 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.664 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 75.8 m95 -120.95 146.56 46.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.706 0.288 . . . . 0.0 110.943 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.664 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 11.2 m0 -161.64 152.12 17.55 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -114.51 137.65 51.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -153.16 163.85 30.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -100.71 129.33 46.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.861 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 29.0 tp -143.75 114.7 7.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 62.13 42.62 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.63 38.03 95.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.537 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.0 mtp85 -136.2 131.18 34.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.775 0.322 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -110.12 110.62 21.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.48 166.11 32.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.505 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.2 m -83.25 163.47 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 111.157 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 56' ' ' PHE . 8.3 p90 -164.44 152.92 11.09 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.665 0.745 . . . . 0.0 110.837 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 118.47 5.7 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.628 2.219 . . . . 0.0 112.339 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.567 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 1.7 t0 -57.2 -32.81 66.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -57.11 -33.11 67.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.556 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 16.7 m-85 -78.34 -1.9 35.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.402 ' O ' ' O ' ' A' ' 58' ' ' ASP . 33.1 m -139.01 174.81 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -144.01 154.38 43.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.567 ' CD2' ' CZ3' ' A' ' 45' ' ' TRP . 4.3 mm? -87.77 114.73 24.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.4 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -95.4 136.13 36.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.388 . . . . 0.0 110.839 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -91.77 -50.2 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.69 164.44 32.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.452 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 t -101.03 128.23 47.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -72.44 -56.89 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.99 -153.17 8.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -145.82 118.26 8.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -87.02 138.86 31.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.9 m -133.52 128.51 35.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.1 tttm -87.78 129.06 35.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 27' ' ' LYS . 82.4 t -85.68 119.95 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.402 ' CD1' ' H ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -113.07 -24.62 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.846 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -112.82 125.99 29.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.664 0.745 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 132.39 23.37 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.677 2.251 . . . . 0.0 112.413 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.489 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 59.3 t80 -129.7 157.73 41.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.963 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -130.18 105.06 7.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.19 123.72 16.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -76.03 -43.96 41.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -124.35 166.3 16.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -44.83 -47.25 11.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.461 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 15.6 m-20 -47.08 -49.02 22.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -72.16 142.8 49.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.9 tp -103.21 143.29 32.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.7 m -90.8 117.37 29.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.1 pt -125.11 145.65 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.496 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 22.0 mmtp -116.43 167.73 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -75.61 118.61 18.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.08 34.02 3.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -143.39 144.31 32.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 mp -102.74 136.9 32.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.0 t -121.01 126.54 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.3 m -74.35 115.98 14.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.5 tp -65.09 113.72 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.6 mm -79.19 -59.88 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -137.95 143.84 40.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -74.59 165.34 25.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 10.5 t0 -98.42 161.54 13.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.572 ' O ' ' N ' ' A' ' 41' ' ' ASP . 17.6 m -51.98 163.03 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 39' ' ' CYS . 4.4 mp -32.73 -31.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.572 ' N ' ' O ' ' A' ' 39' ' ' CYS . 40.3 m-20 -69.32 124.56 24.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.8 t -88.82 153.82 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.4 -16.84 10.53 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.473 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.66 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 70.5 m95 -124.29 145.38 49.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.768 0.318 . . . . 0.0 110.93 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.66 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 11.2 m0 -161.16 154.83 22.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -116.72 133.44 56.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.69 170.13 27.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -109.78 126.33 53.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.895 0.378 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.7 tp -143.98 126.53 15.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 56.69 42.52 26.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.99 50.01 72.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -142.51 160.96 39.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -135.98 108.36 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.461 ' CA ' ' O ' ' A' ' 22' ' ' ASP . . . -155.9 165.9 32.79 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.1 m -83.06 162.98 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -161.41 153.1 16.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.633 0.73 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 107.98 1.97 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.38 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.556 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.2 t0 -46.96 -47.79 21.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.835 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -44.12 -46.93 8.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.489 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 6.7 m-85 -56.04 -38.39 70.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.0 m -103.07 177.55 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -143.1 156.45 44.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.55 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.9 mm? -90.67 126.59 36.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.4 mt -85.52 129.88 34.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.6 m -76.08 -50.97 13.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.84 146.07 5.27 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 122.69 9.38 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.691 2.261 . . . . 0.0 112.361 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.0 t -96.37 -50.28 4.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.9 p -122.9 169.58 10.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.5 p -42.27 -45.42 4.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.844 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 t -119.52 148.22 43.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.88 39.82 0.77 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m 62.95 42.46 7.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.4 t -46.96 -46.73 21.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.68 166.06 12.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.524 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.12 107.74 1.64 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.846 0.355 . . . . 0.0 110.847 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.482 ' CD2' HG23 ' A' ' 31' ' ' ILE . 2.8 m-85 -88.03 139.04 30.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.3 m -136.45 123.08 21.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -85.21 129.96 34.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.2 t -80.31 114.31 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -99.21 -30.93 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -113.49 131.62 22.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 133.52 25.84 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.456 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 51.8 t80 -130.43 137.05 49.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.936 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.35 105.35 13.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.73 123.11 12.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -77.57 -43.44 31.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -125.62 159.44 32.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.57 -52.62 2.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -41.45 -52.01 3.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.01 152.22 43.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.5 tp -111.64 135.53 52.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.2 m -82.54 130.33 35.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 42.9 pt -140.11 137.65 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -110.69 164.13 13.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -68.89 110.77 4.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.47 38.17 1.37 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -145.04 127.97 16.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.742 0.306 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.482 HG23 ' CD2' ' A' ' 9' ' ' TYR . 4.4 mp -90.43 136.76 23.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.0 t -119.67 124.1 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.6 m -72.56 113.06 9.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.175 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 tp -58.5 106.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.437 ' CD1' ' HB2' ' A' ' 48' ' ' GLU . 42.2 mm -73.82 -59.45 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -142.68 146.02 33.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -73.45 165.06 25.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -95.71 161.56 13.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.59 ' O ' ' N ' ' A' ' 41' ' ' ASP . 36.2 m -52.01 163.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.463 ' C ' ' O ' ' A' ' 39' ' ' CYS . 4.6 mp -32.67 -30.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -69.24 124.42 23.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.853 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.6 t -90.16 151.62 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.29 -15.09 9.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.447 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.669 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 69.3 m95 -125.89 153.23 44.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.314 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.669 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.4 m0 -164.1 155.39 15.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.955 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -116.03 139.19 50.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.3 163.51 29.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.437 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -105.77 121.7 44.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.92 0.391 . . . . 0.0 110.887 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.5 tp -135.33 116.33 14.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 56.56 41.28 28.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.3 44.63 74.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -138.99 125.51 20.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 -107.79 107.47 18.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.53 165.93 31.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.525 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.8 m -85.51 158.87 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 111.137 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.421 ' CE1' HG21 ' A' ' 61' ' ' VAL . 4.3 p90 -158.07 151.76 19.39 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.71 0.767 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.475 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 53.6 Cg_endo -69.73 117.89 5.35 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.664 2.242 . . . . 0.0 112.383 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -54.49 -24.77 21.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -65.37 -31.81 73.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.475 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 13.7 m-85 -80.24 -3.18 48.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.421 HG21 ' CE1' ' A' ' 56' ' ' PHE . 34.4 m -136.83 175.73 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -145.83 150.02 35.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.511 HD23 ' CH2' ' A' ' 45' ' ' TRP . 4.1 mm? -86.18 121.56 28.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.6 mt -89.22 166.81 13.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.7 t -104.18 116.63 32.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.38 -96.79 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 116.03 4.37 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.665 2.244 . . . . 0.0 112.36 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.0 m -84.43 137.42 33.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.6 t -56.91 -58.0 10.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -102.43 103.15 13.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.6 p -58.09 141.82 48.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.46 -106.89 0.68 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.525 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -79.65 -43.52 22.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.87 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -62.53 139.07 58.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.67 154.88 7.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.467 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.06 109.23 17.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -88.58 150.32 23.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.935 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.0 m -144.68 120.34 10.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -85.57 129.68 34.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.2 t -82.74 115.38 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.01 -28.19 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -111.13 131.26 22.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.646 0.736 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 131.93 22.26 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.718 2.278 . . . . 0.0 112.322 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.553 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 78.8 t80 -148.18 121.0 8.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -97.2 126.59 42.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.446 ' HB2' ' N ' ' A' ' 25' ' ' THR . . . -58.21 130.1 45.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.475 ' CG ' ' OE1' ' A' ' 23' ' ' GLU . 8.1 pt20 -76.38 -40.47 50.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.465 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 71.5 m-80 -135.4 163.02 30.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -38.48 -51.22 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.466 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 35.0 t0 -45.31 -57.16 4.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.475 ' OE1' ' CG ' ' A' ' 19' ' ' GLN . 3.4 mp0 -58.74 167.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 tp -123.54 129.29 50.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.446 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 1.2 m -78.03 116.41 18.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 29.9 pt -123.53 143.3 37.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -116.24 162.39 17.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -70.86 115.78 10.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.8 40.52 2.14 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -148.13 133.15 18.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.2 mp -88.24 147.64 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.3 t -130.4 120.97 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 84.9 m -70.3 108.88 4.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.1 tp -58.32 105.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.7 mm -70.68 -63.01 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -141.57 139.98 33.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -65.98 165.32 13.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 20.5 t70 -94.16 161.89 14.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.585 ' O ' ' N ' ' A' ' 41' ' ' ASP . 99.8 m -52.03 163.27 0.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.9 OUTLIER -32.05 -31.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.585 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -69.23 124.6 24.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.2 t -89.39 156.03 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.7 -16.07 14.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.547 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.662 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 66.8 m95 -125.77 151.0 47.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.782 0.325 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.662 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.9 m0 -161.71 154.25 20.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -114.35 140.91 48.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.98 170.46 31.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.442 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -113.72 123.85 50.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.7 tp -144.07 118.6 9.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 62.3 41.06 10.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.38 45.81 94.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -143.0 131.18 21.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.835 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -112.92 105.76 13.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.466 ' CA ' ' O ' ' A' ' 22' ' ' ASP . . . -149.44 166.08 29.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.7 m -82.9 161.18 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -161.66 152.02 14.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.611 0.719 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.485 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 54.2 Cg_endo -69.76 119.38 6.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -56.06 -24.27 38.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -65.24 -29.01 69.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 32.1 m-85 -84.05 -1.07 54.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 m -137.62 175.55 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -145.53 149.78 35.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.527 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.1 mm? -86.82 114.53 23.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.4 mt -79.78 175.56 10.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.3 t -69.09 -53.12 21.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.77 66.05 1.33 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -175.17 1.07 Allowed 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.72 2.28 . . . . 0.0 112.375 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.0 m -88.32 -61.76 1.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.2 m -71.79 120.64 17.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.816 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.449 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.9 m -56.51 -47.25 79.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.805 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 p 52.12 40.08 27.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.799 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.51 90.75 1.3 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.468 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -61.48 163.15 7.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.873 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.0 t -83.96 -53.45 5.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.3 -149.83 26.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -116.1 149.24 39.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.529 ' CD2' HG22 ' A' ' 31' ' ' ILE . 2.8 m-85 -91.0 127.54 36.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.4 m -125.25 122.26 36.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -84.67 129.6 34.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.4 t -83.85 114.27 24.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.136 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.409 ' H ' ' CD1' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -98.42 -32.22 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -112.13 127.47 26.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.677 0.751 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 131.38 21.04 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.561 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 66.1 t80 -127.49 155.65 43.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -124.21 113.4 18.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.39 106.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -67.12 -40.4 86.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -119.49 176.15 5.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -58.57 -55.0 40.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.424 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 12.4 m-20 -47.52 -45.84 26.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -58.0 148.95 24.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.5 tp -110.43 144.5 39.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.5 m -89.92 121.54 32.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.9 pt -129.62 151.75 36.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -130.46 154.15 48.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -59.7 110.05 1.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.14 41.66 0.81 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.476 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -153.34 123.52 7.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.781 0.324 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.529 HG22 ' CD2' ' A' ' 9' ' ' TYR . 4.0 mp -85.88 124.67 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.46 HG21 ' CD1' ' A' ' 49' ' ' LEU . 69.7 t -106.44 125.5 62.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.4 m -75.98 115.21 15.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.9 tp -60.15 113.36 2.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.444 ' CD1' ' HB2' ' A' ' 48' ' ' GLU . 36.5 mm -81.36 -59.73 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -138.2 135.95 36.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -67.34 165.16 16.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.415 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 27.5 t70 -99.37 161.55 13.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 41' ' ' ASP . 68.1 m -52.01 162.99 0.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.46 ' C ' ' O ' ' A' ' 39' ' ' CYS . 46.1 mm -33.08 -30.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 39' ' ' CYS . 73.7 m-20 -69.24 124.58 24.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 43' ' ' GLY . 53.9 t -88.97 150.0 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.465 ' N ' HG13 ' A' ' 42' ' ' VAL . . . 121.94 -12.85 9.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.478 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.674 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 77.1 m95 -126.17 148.8 49.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.727 0.299 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.674 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.3 m0 -165.24 152.49 10.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' HG3' ' C ' ' A' ' 54' ' ' GLY . 10.4 tt0 -117.95 128.02 54.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.39 172.86 21.97 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.444 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -112.3 123.2 49.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.859 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.46 ' CD1' HG21 ' A' ' 32' ' ' VAL . 7.4 tp -142.28 127.22 18.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 54.49 41.65 31.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.83 46.34 94.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -141.91 137.65 31.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -114.88 111.48 21.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.424 ' CA ' ' O ' ' A' ' 22' ' ' ASP . . . -154.93 164.94 32.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.4 m -84.02 163.04 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 111.124 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -162.59 153.34 14.4 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.669 0.747 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 110.21 2.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.34 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.565 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 1.6 t0 -48.49 -34.23 10.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -56.04 -34.63 66.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.561 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 8.8 m-85 -76.46 -0.07 21.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.9 m -140.58 173.65 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -144.22 151.97 40.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.568 HD23 ' CZ3' ' A' ' 45' ' ' TRP . 4.1 mm? -86.29 111.66 20.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 23.0 mt -74.53 155.19 38.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.1 t -147.57 117.57 7.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -146.35 -148.74 4.84 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 120.35 7.14 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.684 2.256 . . . . 0.0 112.302 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 69' ' ' SER . 48.5 t -82.18 114.13 20.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.444 ' HG ' ' N ' ' A' ' 70' ' ' GLY . 85.9 p -35.31 -41.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.871 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.444 ' N ' ' HG ' ' A' ' 69' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.6 m -152.41 174.96 13.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.828 0.347 . . . . 0.0 110.838 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t -63.8 123.8 19.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.88 -142.78 3.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -38.66 -47.36 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.902 0.382 . . . . 0.0 110.789 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 p -115.48 177.04 4.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.54 109.07 0.54 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.445 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -108.88 117.12 33.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -89.45 148.46 23.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.6 m -145.52 123.83 12.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -87.92 132.43 34.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.8 t -81.6 118.91 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.43 -20.94 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.163 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.424 ' HB3' ' CD2' ' A' ' 60' ' ' PHE . 9.1 m-85 -125.17 131.84 24.17 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.641 0.734 . . . . 0.0 110.853 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 116.17 4.43 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 57' ' ' PRO . 53.8 t80 -119.97 117.7 28.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -92.87 124.86 37.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.97 142.5 54.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -92.87 -44.79 8.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -122.64 164.32 18.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -41.98 -51.72 4.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -46.39 -56.37 5.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -57.66 148.73 23.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 tp -112.13 144.79 40.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.7 m -92.07 129.76 37.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.464 ' CG1' ' HB3' ' A' ' 16' ' ' TYR . 20.1 pt -132.22 125.17 53.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.5 171.8 9.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.62 104.82 13.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.56 33.84 2.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.531 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -131.48 128.33 39.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mp -85.32 135.9 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.6 t -121.05 130.17 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 62.5 m -76.39 114.38 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.6 tp -63.42 109.5 1.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.8 mm -74.92 -62.03 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -140.71 146.85 38.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -70.56 165.37 22.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.42 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 31.6 t70 -94.84 162.15 13.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.569 ' O ' ' N ' ' A' ' 41' ' ' ASP . 7.4 m -52.01 162.41 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.459 ' C ' ' O ' ' A' ' 39' ' ' CYS . 49.7 mt -32.73 -31.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.569 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -69.04 124.63 24.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.461 HG12 ' N ' ' A' ' 43' ' ' GLY . 11.6 t -88.42 150.05 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.461 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 121.71 -13.28 9.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.68 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 74.2 m95 -126.4 153.76 44.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.742 0.306 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.68 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.5 m0 -164.67 154.31 13.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -114.68 141.07 48.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -153.69 166.64 31.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.72 123.15 48.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.862 0.363 . . . . 0.0 110.932 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.2 tp -140.48 113.69 8.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.5 m120 64.15 39.39 7.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.4 45.47 85.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.526 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -140.78 126.09 18.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.88 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -107.61 105.81 15.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -151.08 165.99 30.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.442 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.9 m -84.53 160.95 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.858 0.361 . . . . 0.0 111.114 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -161.53 152.55 15.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.738 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.56 ' HG3' ' CE2' ' A' ' 16' ' ' TYR . 54.3 Cg_endo -69.73 118.29 5.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.26 . . . . 0.0 112.337 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -52.6 -34.56 51.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -54.84 -31.95 59.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.544 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 34.8 m-85 -82.29 11.36 5.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.0 m -152.62 173.52 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -143.67 150.0 38.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.531 HD21 ' CH2' ' A' ' 45' ' ' TRP . 4.0 mm? -86.42 117.93 25.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.7 mt -77.68 149.9 34.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.0 m -145.67 172.89 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.68 164.74 22.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -30.36 22.15 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.37 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 94.0 p -52.73 157.66 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.0 t 66.77 42.22 2.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -138.04 150.08 46.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.388 . . . . 0.0 110.848 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.6 t -64.25 140.12 58.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.32 77.62 0.26 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 p -89.96 144.91 25.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.4 m -100.43 135.32 42.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.38 -174.73 20.55 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -117.08 123.05 45.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.345 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.529 ' CD2' HG22 ' A' ' 31' ' ' ILE . 3.3 m-85 -90.08 139.95 30.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.5 m -131.91 124.83 30.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -85.27 129.31 34.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.1 t -82.6 110.61 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -99.35 -31.26 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -109.26 128.26 25.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.659 0.743 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 139.06 39.12 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.652 2.235 . . . . 0.0 112.304 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -145.01 128.27 16.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -101.52 107.57 18.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.24 108.55 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -68.0 -41.38 82.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.59 154.1 27.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -49.69 -40.23 39.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.07 -48.0 71.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -64.58 156.54 29.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 tp -110.34 134.26 52.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.1 m -80.7 123.47 28.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.166 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.0 pt -130.4 138.51 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 mmtm -116.78 157.78 24.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -62.69 117.88 6.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.84 38.81 2.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -147.69 131.6 17.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.529 HG22 ' CD2' ' A' ' 9' ' ' TYR . 4.2 mp -95.44 136.82 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.0 t -119.02 123.72 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.3 m -69.25 119.98 14.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 tp -68.12 106.06 2.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.476 HD11 ' CZ ' ' A' ' 53' ' ' ARG . 47.1 mm -75.78 -61.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -137.19 142.58 42.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -71.19 165.11 24.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.422 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 30.5 t70 -96.91 161.42 13.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.56 ' O ' ' N ' ' A' ' 41' ' ' ASP . 78.9 m -51.94 162.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 39' ' ' CYS . 63.1 mt -32.38 -31.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' A' ' 39' ' ' CYS . 65.9 m-20 -69.17 124.62 24.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.4 t -88.27 156.31 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.53 -15.95 14.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.54 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.67 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 75.9 m95 -123.34 150.64 43.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.761 0.315 . . . . 0.0 110.91 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.67 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.5 m0 -165.14 152.23 10.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -114.2 136.26 53.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -153.5 166.66 31.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -100.48 129.83 46.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.5 tp -144.11 119.76 10.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 59.77 47.56 10.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.83 38.53 92.46 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -133.17 158.9 41.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.476 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -131.63 108.08 9.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.36 163.1 31.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.8 m -82.97 160.77 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.38 . . . . 0.0 111.098 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -157.38 152.94 22.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.651 0.739 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 110.38 2.55 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.345 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.555 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.2 t0 -49.86 -51.15 42.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -40.74 -43.34 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -63.18 -35.83 81.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 58' ' ' ASP . 33.2 m -102.93 175.05 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -141.68 155.17 45.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.569 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.0 mm? -89.76 117.04 28.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 71.5 mt -73.46 148.28 43.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.2 p -87.88 -44.51 11.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 126.97 79.96 0.31 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 0.9 4.96 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.335 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.3 p -40.5 -60.43 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.809 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.3 t -123.04 147.35 46.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.1 p -76.97 176.45 8.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.879 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.0 t -102.05 128.34 48.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.48 55.96 0.48 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.509 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -56.49 -60.89 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 110.878 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 m -101.0 120.28 39.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.43 71.55 0.27 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.517 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -67.4 119.63 12.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.341 . . . . 0.0 110.832 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -87.43 143.56 27.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.7 m -141.2 120.5 13.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -84.71 130.52 34.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.9 t -83.43 110.61 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -95.92 -28.07 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -113.71 128.68 25.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.678 0.751 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 136.08 32.15 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -152.27 113.78 4.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -92.09 127.32 37.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.45 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -62.58 130.89 47.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -78.55 -37.0 43.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 21' ' ' ASP . 3.5 m-80 -128.46 150.28 50.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 20' ' ' ASN . 22.5 m-20 -34.14 -46.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -46.51 -58.84 3.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.45 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 3.6 mm-40 -62.86 154.36 30.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.417 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 6.5 tp -108.28 127.58 53.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.6 m -76.49 105.67 7.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.094 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.4 pt -106.57 141.31 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.136 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -118.61 160.86 21.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -67.54 122.76 18.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.77 40.94 3.97 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -146.32 117.86 8.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.323 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mp -82.28 119.13 31.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.6 t -98.66 128.67 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.8 m -77.61 109.65 11.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -58.45 107.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.7 mm -75.49 -60.94 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -141.66 146.48 36.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -71.7 165.25 24.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -94.74 161.16 14.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.588 ' O ' ' N ' ' A' ' 41' ' ' ASP . 7.1 t -51.98 163.43 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 39' ' ' CYS . 29.0 mm -32.46 -31.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' A' ' 39' ' ' CYS . 64.1 m-20 -69.26 124.32 23.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 t -89.87 151.88 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.0 -14.43 9.6 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.552 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.678 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 68.8 m95 -126.03 156.57 39.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.769 0.319 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.678 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.1 m0 -166.03 153.66 10.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -114.48 140.74 48.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.93 172.6 31.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -114.92 127.2 55.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.4 tp -141.42 119.24 11.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.8 m120 54.29 40.47 31.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.47 46.92 60.42 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 59.5 mtt85 -139.21 125.36 20.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -108.66 107.3 17.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.03 163.92 32.08 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.6 m -80.31 166.58 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.853 0.359 . . . . 0.0 111.129 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -167.27 152.21 6.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.671 0.748 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 122.0 8.69 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -59.52 -39.54 84.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.464 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 0.8 OUTLIER -51.32 -24.09 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.433 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 16.8 m-85 -89.06 18.03 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.433 ' CG1' ' O ' ' A' ' 60' ' ' PHE . 18.9 m -158.26 177.39 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -145.05 145.75 31.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.511 HD22 ' CH2' ' A' ' 45' ' ' TRP . 3.4 mm? -82.49 120.47 25.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.6 mt -84.57 -53.61 5.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.5 m -39.3 -65.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -142.91 85.7 0.19 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -0.72 7.34 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.336 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.8 p -93.93 -34.34 13.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.3 m -136.3 161.9 34.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.525 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -94.65 165.55 12.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -38.63 -44.05 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.8 -40.84 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.1 p -119.65 105.63 11.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.916 0.389 . . . . 0.0 110.85 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -77.02 -60.88 2.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.65 87.2 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.513 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -111.08 115.74 29.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.791 0.329 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.547 ' CD2' HG22 ' A' ' 31' ' ' ILE . 2.8 m-85 -87.09 136.78 32.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.8 m -134.0 124.77 26.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -84.95 130.33 34.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.4 t -83.46 110.54 18.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.419 HG12 ' N ' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -94.33 -32.94 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.419 ' N ' HG12 ' A' ' 13' ' ' ILE . 48.8 m-85 -109.22 128.85 24.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.743 . . . . 0.0 110.853 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.434 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 53.9 Cg_endo -69.77 128.61 16.27 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.395 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.532 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 23.0 t80 -131.12 137.61 49.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -112.14 111.2 21.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.41 ' HB3' ' C ' ' A' ' 24' ' ' LEU . . . -55.82 112.7 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -59.14 -43.26 92.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -131.28 173.1 11.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 22' ' ' ASP . 3.5 p-10 -46.81 -60.0 2.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -36.03 -52.64 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.415 ' CD ' ' OD2' ' A' ' 22' ' ' ASP . 40.2 mp0 -67.44 147.95 52.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.434 ' HG ' ' N ' ' A' ' 25' ' ' THR . 7.6 tp -102.62 149.36 24.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.434 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 19.6 m -95.32 123.32 38.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.468 ' CG1' ' HB3' ' A' ' 16' ' ' TYR . 31.2 pt -129.1 133.49 65.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -108.1 174.07 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.434 ' CG ' ' HD3' ' A' ' 15' ' ' PRO . 51.9 mt-10 -77.11 117.26 18.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.831 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.2 40.7 3.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -144.73 126.63 15.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.75 0.309 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.547 HG22 ' CD2' ' A' ' 9' ' ' TYR . 5.2 mp -90.76 135.75 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.434 ' N ' HG23 ' A' ' 31' ' ' ILE . 60.3 t -113.88 125.88 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.2 m -72.02 110.52 6.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.4 tp -59.34 109.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.1 mm -76.92 -62.16 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.133 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -140.67 144.71 35.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -70.29 165.43 22.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 17.5 t70 -95.37 162.63 13.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.58 ' O ' ' N ' ' A' ' 41' ' ' ASP . 84.3 m -51.95 163.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.455 ' C ' ' O ' ' A' ' 39' ' ' CYS . 4.7 mp -32.91 -30.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' A' ' 39' ' ' CYS . 79.2 m-20 -69.34 124.67 24.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 t -89.47 149.01 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.48 -13.9 8.77 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.66 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 72.6 m95 -126.69 150.2 49.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.773 0.32 . . . . 0.0 110.919 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.66 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 11.1 m0 -160.91 155.15 23.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -115.74 142.35 46.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.0 172.94 31.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.541 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -116.17 128.38 55.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.0 tp -144.01 112.92 6.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 61.02 46.48 8.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.95 39.82 98.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.5 mmt-85 -132.61 133.92 44.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.819 0.342 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.462 ' CZ ' ' HB2' ' A' ' 53' ' ' ARG . 17.2 mtm105 -115.61 109.97 18.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.43 163.37 30.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.5 m -85.98 158.2 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -157.66 149.83 17.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.647 0.736 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.515 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 53.8 Cg_endo -69.74 120.81 7.54 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.638 2.225 . . . . 0.0 112.356 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -55.46 -31.36 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -59.14 -27.75 65.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.532 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 23.7 m-85 -83.86 -4.76 58.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.0 m -135.89 174.79 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -143.56 149.35 37.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.56 HD22 ' CZ3' ' A' ' 45' ' ' TRP . 4.0 mm? -86.81 114.13 23.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.4 mt -72.42 144.73 48.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.0 t -112.37 115.5 28.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 129.3 81.82 0.29 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.5 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 127.57 14.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.26 . . . . 0.0 112.351 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.6 m -120.12 103.32 9.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.3 t -73.61 159.01 33.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.461 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.4 m -97.54 158.67 15.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 0.0 110.891 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 m -92.63 164.06 13.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.4 -43.4 1.27 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.1 p -62.92 -38.59 91.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 110.907 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 t -86.68 -51.94 5.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.34 174.17 46.48 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.533 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -146.73 145.74 30.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.816 0.341 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.563 ' CD2' HG22 ' A' ' 31' ' ' ILE . 2.7 m-85 -87.03 127.39 35.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.0 m -125.79 130.65 51.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -86.2 129.6 34.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.6 t -87.33 106.57 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.446 HG12 ' N ' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -94.36 -34.46 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.446 ' N ' HG12 ' A' ' 13' ' ' ILE . 15.4 m-85 -106.24 129.09 25.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.678 0.751 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 140.88 43.54 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.469 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 86.4 t80 -146.8 140.33 25.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -112.74 120.75 42.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.421 ' HB3' ' C ' ' A' ' 24' ' ' LEU . . . -62.16 110.25 1.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -68.99 -41.83 77.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -118.99 156.39 29.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -39.53 -55.53 1.8 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -44.65 -55.65 5.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -53.8 146.31 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 25' ' ' THR . 7.5 tp -104.72 151.1 24.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.462 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 20.0 m -95.86 113.36 24.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 29.9 pt -121.3 145.77 27.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -123.72 158.97 30.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -66.99 116.9 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.98 42.5 1.93 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -154.16 137.18 15.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.726 0.298 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.563 HG22 ' CD2' ' A' ' 9' ' ' TYR . 4.7 mp -96.11 141.68 15.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.6 t -124.49 136.08 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.8 m -78.28 117.78 19.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 tp -64.57 114.06 4.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.472 ' CD1' ' HB2' ' A' ' 48' ' ' GLU . 18.1 mm -77.18 -53.95 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -151.49 150.85 30.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -75.31 165.26 25.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.423 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 31.7 t70 -98.83 161.73 13.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.845 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.578 ' O ' ' N ' ' A' ' 41' ' ' ASP . 81.0 m -51.98 163.43 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 39' ' ' CYS . 24.1 mt -33.17 -29.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.578 ' N ' ' O ' ' A' ' 39' ' ' CYS . 76.2 m-20 -69.17 124.47 23.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.5 t -89.88 147.4 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.8 -11.09 8.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.678 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 84.1 m95 -126.58 150.79 48.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.759 0.314 . . . . 0.0 110.928 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.678 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.5 m0 -164.96 154.52 13.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -117.24 123.44 46.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -134.11 160.25 24.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.51 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.472 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . 15.5 tt0 -109.26 128.54 55.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 0.0 110.856 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 tp -142.98 125.91 16.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 62.57 33.11 16.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.26 31.92 56.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.457 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 -143.19 120.69 11.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.796 0.332 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -106.56 123.46 48.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.62 166.41 31.27 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.0 m -79.04 152.34 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 56' ' ' PHE . 4.5 p90 -158.84 153.32 20.47 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.681 0.753 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 107.02 1.77 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.313 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.559 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.3 t0 -44.36 -51.57 8.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -37.71 -47.6 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.469 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 6.6 m-85 -58.06 -39.0 77.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 58' ' ' ASP . 31.9 m -102.8 177.94 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -145.31 157.3 44.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.562 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.6 mm? -89.19 133.62 34.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 36.6 mt -93.55 17.72 11.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.5 t -96.08 -57.12 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.6 84.78 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.453 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 160.14 50.76 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.299 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.1 t -89.33 149.04 23.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.0 t -88.15 151.06 22.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t -83.5 -58.72 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 110.834 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 p -70.8 131.31 43.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.44 -112.99 0.56 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t 54.14 42.07 31.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.8 t -66.18 -50.82 62.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.4 135.19 3.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -77.89 121.75 24.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -87.06 146.68 26.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.4 m -144.42 118.65 9.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -84.29 129.62 34.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.6 t -83.11 107.2 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.437 HG12 ' N ' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -94.09 -32.47 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.437 ' N ' HG12 ' A' ' 13' ' ' ILE . 80.1 m-85 -107.97 123.43 37.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.645 0.735 . . . . 0.0 110.878 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 138.38 37.65 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.303 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.56 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 76.9 t80 -141.2 154.07 45.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -121.05 116.52 25.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.4 102.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.412 ' HG3' ' N ' ' A' ' 20' ' ' ASN . 1.3 pt20 -54.87 -35.9 64.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.412 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 2.3 m-80 -137.79 164.14 29.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -47.83 -41.78 24.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -50.02 -46.46 52.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -74.75 160.2 31.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 25' ' ' THR . 6.1 tp -111.85 150.56 30.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.451 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 21.6 m -90.86 130.94 36.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.186 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.0 pt -139.88 138.12 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -120.94 162.12 20.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.26 116.9 8.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.05 40.3 1.99 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.522 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -151.27 122.94 7.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.5 mp -87.44 125.15 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 81.5 t -103.28 126.41 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.7 m -74.45 111.61 9.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.7 tp -60.91 107.19 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.6 mm -74.54 -61.7 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -140.35 149.01 42.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -74.03 164.43 26.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 22.7 t70 -94.06 162.45 13.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.577 ' O ' ' N ' ' A' ' 41' ' ' ASP . 4.6 t -51.99 162.95 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.461 ' C ' ' O ' ' A' ' 39' ' ' CYS . 49.3 mm -32.59 -31.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' A' ' 39' ' ' CYS . 79.8 m-20 -69.05 124.59 24.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -89.22 150.29 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.73 -13.98 9.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.673 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 76.4 m95 -126.43 151.14 48.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.756 0.312 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.673 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 11.1 m0 -161.79 154.37 20.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -114.54 138.31 50.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.31 166.42 30.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.17 124.05 49.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.878 0.371 . . . . 0.0 110.918 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.0 tp -141.55 111.64 6.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 66.4 40.2 3.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.13 45.5 91.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -141.13 131.75 25.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.4 mtp85 -110.54 105.97 15.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -150.48 161.26 28.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.4 m -81.61 161.43 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 111.132 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -160.78 152.27 16.17 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.621 0.724 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 117.6 5.18 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -54.26 -33.15 57.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -56.43 -33.56 65.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 15.9 m-85 -78.32 -2.02 36.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.68 176.23 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -144.96 148.8 34.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.604 ' CD2' ' CZ3' ' A' ' 45' ' ' TRP . 4.2 mm? -84.57 111.93 19.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.7 mt -74.67 130.55 39.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -138.49 114.74 10.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.801 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.09 170.62 39.41 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.479 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 170.51 16.42 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 t -57.05 131.83 51.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 53.0 p -48.34 -46.7 36.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 m -103.58 134.08 47.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.362 . . . . 0.0 110.882 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.5 m -103.47 125.5 50.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.9 -99.57 0.46 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.4 t -102.6 144.05 31.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.352 . . . . 0.0 110.843 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 m -130.16 172.69 11.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.64 174.35 15.2 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.484 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.11 116.43 19.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.508 ' CD2' HG22 ' A' ' 31' ' ' ILE . 3.2 m-85 -86.99 121.67 29.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 79.4 m -118.86 129.89 55.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -88.03 129.04 35.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.8 t -85.68 107.74 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.415 ' H ' ' CD1' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -93.73 -33.55 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -106.23 122.07 43.39 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.728 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 124.36 11.02 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.637 2.225 . . . . 0.0 112.345 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.537 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 80.3 t80 -125.34 142.93 51.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -112.51 110.79 21.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.409 ' HB3' ' C ' ' A' ' 24' ' ' LEU . . . -54.54 102.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.452 ' HG3' ' ND2' ' A' ' 20' ' ' ASN . 4.7 tp60 -55.52 -43.4 75.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.452 ' ND2' ' HG3' ' A' ' 19' ' ' GLN . 33.3 m-80 -126.57 172.93 9.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -53.04 -47.03 68.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.03 -55.29 4.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -66.15 156.66 33.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 25' ' ' THR . 4.6 tp -108.59 147.62 31.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.427 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 62.5 m -89.77 118.42 29.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.0 pt -126.07 140.66 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -114.63 158.24 22.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -64.34 123.83 20.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.38 41.35 4.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.456 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -141.59 133.14 26.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.508 HG22 ' CD2' ' A' ' 9' ' ' TYR . 3.9 mp -92.52 136.36 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.465 ' N ' HG23 ' A' ' 31' ' ' ILE . 96.7 t -121.79 123.94 70.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.151 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.7 m -72.45 111.74 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.3 tp -59.22 106.4 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.7 mm -72.09 -62.1 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.142 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -141.41 140.05 33.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -65.73 165.28 12.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 33.4 t70 -93.67 161.92 14.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.573 ' O ' ' N ' ' A' ' 41' ' ' ASP . 68.0 m -51.93 162.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.461 ' C ' ' O ' ' A' ' 39' ' ' CYS . 35.4 mm -32.3 -32.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 39' ' ' CYS . 71.4 m-20 -68.67 124.66 24.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 43' ' ' GLY . 60.0 t -89.35 151.04 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.471 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 121.68 -15.9 9.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.464 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.665 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 58.8 m95 -126.15 155.73 41.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.733 0.301 . . . . 0.0 110.953 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.665 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.4 m0 -165.41 159.61 17.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -119.63 137.25 53.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.838 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.73 163.18 29.3 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -103.67 130.24 51.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.503 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 6.3 tp -144.04 125.47 14.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 49' ' ' LEU . 9.9 p30 51.98 32.33 9.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.5 46.86 17.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -142.96 131.68 22.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -110.07 111.46 22.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.99 162.78 31.51 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.6 m -80.83 165.04 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.436 ' C ' ' CD1' ' A' ' 56' ' ' PHE . 4.5 p90 -167.11 152.82 7.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.669 0.747 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.429 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 53.4 Cg_endo -69.75 116.44 4.56 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.319 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.561 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.6 t0 -52.35 -33.93 45.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -58.41 -23.91 58.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.537 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 10.9 m-85 -86.84 2.04 50.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 35.1 m -141.62 172.53 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.469 ' CG ' HD22 ' A' ' 64' ' ' LEU . 11.8 ptmt -136.65 152.24 50.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.91 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.569 HD22 ' CZ3' ' A' ' 45' ' ' TRP . 3.9 mm? -90.96 106.13 18.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.469 HD22 ' CG ' ' A' ' 62' ' ' LYS . 17.0 mt -77.3 131.1 37.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.3 m -136.4 149.46 48.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 151.46 83.61 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 130.28 19.04 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.751 2.301 . . . . 0.0 112.312 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.7 p -73.63 -47.8 37.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.0 t -60.03 130.72 48.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.513 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 m -96.63 144.53 26.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -42.53 -44.89 4.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.83 124.38 5.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.522 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 m -149.88 121.07 7.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.834 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 m -75.53 130.09 38.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.99 170.41 35.39 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.449 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -88.26 118.06 27.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.544 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.8 m-85 -87.19 130.44 34.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.4 m -123.71 130.19 52.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -87.64 129.87 34.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.9 t -87.44 107.93 17.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -95.29 -31.81 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -108.4 121.87 42.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.668 0.747 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 135.39 30.36 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.245 . . . . 0.0 112.332 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.496 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 61.1 t80 -143.12 144.88 32.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -110.1 131.2 55.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.18 104.57 5.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 20' ' ' ASN . 6.1 pt20 -59.34 -38.11 79.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.441 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 65.5 m-80 -127.34 173.35 9.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.55 -45.64 81.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -45.74 -60.28 2.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -60.41 155.14 18.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 25' ' ' THR . 6.1 tp -108.64 148.96 29.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.435 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 63.4 m -91.63 112.1 23.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.3 pt -119.11 137.23 53.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 27' ' ' LYS . 1.8 mppt? -113.8 161.06 18.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -64.63 120.26 12.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.99 44.76 4.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -145.3 125.41 13.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.801 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.544 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.0 mp -90.21 132.55 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.455 ' CG2' ' HB2' ' A' ' 49' ' ' LEU . 60.1 t -117.08 127.05 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.14 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.5 m -70.53 115.9 10.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -59.48 117.59 5.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 48' ' ' GLU . 20.6 mm -80.91 -55.37 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -152.51 145.46 24.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -68.76 165.14 20.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.417 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 33.2 t70 -97.08 161.54 13.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.579 ' O ' ' N ' ' A' ' 41' ' ' ASP . 3.5 m -51.98 163.25 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.467 ' C ' ' O ' ' A' ' 39' ' ' CYS . 4.6 mp -32.55 -30.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' A' ' 39' ' ' CYS . 69.1 m-20 -69.39 124.51 24.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.1 t -89.47 151.84 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.18 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.39 -13.26 10.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.676 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 72.7 m95 -125.98 154.12 43.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.78 0.324 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.676 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.4 m0 -165.95 152.1 9.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -114.56 119.67 37.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -132.7 159.41 23.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.461 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . 5.4 tt0 -109.32 129.95 55.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.893 0.378 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.471 ' HG ' ' ND2' ' A' ' 50' ' ' ASN . 6.2 tp -144.09 124.72 14.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.471 ' ND2' ' HG ' ' A' ' 49' ' ' LEU . 76.7 m-20 63.41 34.55 12.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.71 31.11 60.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -143.01 120.88 11.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.775 0.321 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -108.72 125.26 51.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.11 165.85 31.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.5 m -79.87 141.66 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.832 0.348 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.428 ' C ' ' CD1' ' A' ' 56' ' ' PHE . 4.5 p90 -148.1 153.37 41.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.634 0.731 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 106.76 1.72 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 61' ' ' VAL . 1.7 t0 -41.11 -53.04 3.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' ASP . 7.0 t-20 -37.38 -49.58 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.496 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 8.0 m-85 -55.94 -39.22 71.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 58' ' ' ASP . 26.3 m -102.64 178.19 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -146.74 157.34 43.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.561 HD22 ' CZ3' ' A' ' 45' ' ' TRP . 3.5 mm? -89.12 126.96 35.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 57.5 mt -83.72 155.59 23.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 m -56.28 -55.4 33.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 128.77 145.06 5.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -2.22 9.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.6 t -93.92 173.53 7.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.3 p -107.99 159.22 16.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.461 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.0 p -84.19 133.0 34.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 110.847 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 p -72.56 -39.66 67.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.77 131.84 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -45.69 -48.16 15.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 p 54.44 39.69 31.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.08 153.83 30.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.9 127.81 46.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.823 0.344 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -88.9 134.58 33.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.7 m -132.4 125.42 30.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -87.36 133.01 33.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.3 t -87.51 118.99 34.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.415 ' H ' ' CD1' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -106.39 -29.97 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -109.75 128.0 26.16 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 125.56 12.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.242 . . . . 0.0 112.335 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.569 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 10.3 t80 -127.7 144.23 51.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -115.1 117.55 30.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.16 104.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -63.98 -41.5 97.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 21' ' ' ASP . 7.5 m120 -118.61 136.4 53.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' ASN . 3.9 p-10 -34.37 -41.28 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -54.55 -54.78 36.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.561 ' CD ' ' CG2' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -52.83 176.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.897 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.453 ' HG ' ' N ' ' A' ' 25' ' ' THR . 3.3 tp -123.56 149.33 45.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.453 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 26.8 m -96.85 128.33 43.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.157 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.8 pt -131.49 152.44 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -131.97 161.97 31.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -59.87 126.21 26.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.86 45.53 5.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.448 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -146.8 111.49 5.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.77 0.319 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.5 mp -84.04 124.18 39.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.7 t -108.73 122.51 63.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.0 m -67.59 109.99 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tp -58.92 113.06 1.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.0 mm -80.18 -59.4 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -140.52 141.43 35.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -68.35 165.22 19.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -97.51 161.62 13.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 41' ' ' ASP . 54.5 m -52.03 163.15 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' CYS . 4.7 mp -32.56 -30.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 39' ' ' CYS . 67.4 m-20 -69.27 124.52 24.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 43' ' ' GLY . 78.7 t -89.35 155.09 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.409 ' N ' HG13 ' A' ' 42' ' ' VAL . . . 116.97 -13.86 14.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.662 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 67.7 m95 -126.07 153.8 43.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.704 0.288 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.662 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.3 m0 -166.0 151.94 9.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -113.68 123.77 50.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -136.61 168.03 24.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -109.74 123.45 49.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.2 tp -136.81 119.93 16.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 56.09 40.54 30.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.45 41.89 83.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 47.8 mtt85 -140.25 123.57 16.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.852 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -107.55 107.24 17.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -147.95 165.83 28.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.561 ' CG2' ' CD ' ' A' ' 23' ' ' GLU . 27.8 m -83.25 144.51 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.861 0.362 . . . . 0.0 111.162 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -143.87 153.25 57.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.691 0.758 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 107.95 1.97 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.371 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.54 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 1.4 t0 -49.83 -48.48 50.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -43.53 -43.85 5.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.569 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 9.9 m-85 -60.4 -36.78 78.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.5 m -102.96 174.88 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -140.01 152.34 46.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.617 ' CD2' ' CZ3' ' A' ' 45' ' ' TRP . 3.4 mm? -85.7 122.4 29.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.6 mt -80.77 -60.76 2.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.8 m -119.68 168.39 11.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.68 -106.42 0.5 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 165.82 29.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.1 p -82.13 -46.51 13.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' GLY . 47.4 t -86.99 127.15 35.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 69' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.458 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -77.52 -49.55 14.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.843 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 4' ' ' GLY . 5.7 t -121.83 172.53 8.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -36.1 -75.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.508 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -57.36 127.21 30.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 t -40.49 -46.25 2.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.21 176.52 40.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -112.67 117.22 31.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -89.14 153.44 20.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.4 m -147.32 130.97 16.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -91.35 129.13 37.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' A' ' 30' ' ' ASP . 94.9 t -83.77 105.48 13.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.459 ' H ' ' CD1' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -98.87 -30.25 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.419 ' N ' HG12 ' A' ' 13' ' ' ILE . 32.3 m-85 -107.59 131.46 21.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.646 0.736 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 134.51 28.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.652 2.235 . . . . 0.0 112.302 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.559 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 4.5 t80 -145.66 132.75 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -104.87 133.22 50.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.99 132.56 43.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.43 ' HG3' ' ND2' ' A' ' 20' ' ' ASN . 4.2 tp-100 -79.74 -45.68 18.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.43 ' ND2' ' HG3' ' A' ' 19' ' ' GLN . 30.5 m-80 -133.01 173.1 11.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -44.86 -44.12 9.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.489 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 1.7 m-20 -53.43 -52.31 59.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.1 mp0 -66.75 146.86 54.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.4 tp -112.16 143.06 43.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.428 ' C ' HG22 ' A' ' 26' ' ' ILE . 75.2 m -85.54 138.01 32.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.428 HG22 ' C ' ' A' ' 25' ' ' THR . 32.0 pt -147.07 134.01 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.11 163.46 16.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -63.19 113.64 3.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.402 ' O ' ' OD1' ' A' ' 30' ' ' ASP . . . 108.44 36.81 2.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.472 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.43 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 1.0 OUTLIER -143.54 124.33 14.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.452 HD13 ' N ' ' A' ' 31' ' ' ILE . 4.2 mp -91.6 131.53 38.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.4 t -117.12 132.1 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.8 m -80.65 112.48 18.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.5 tp -59.97 111.14 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.2 mm -77.21 -60.75 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -136.34 146.45 46.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -76.86 165.19 25.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 21.3 t70 -98.82 161.78 13.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 41' ' ' ASP . 17.6 m -52.05 163.03 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 39' ' ' CYS . 41.4 mm -32.97 -30.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -69.32 124.7 24.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.859 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.437 HG11 ' N ' ' A' ' 43' ' ' GLY . 71.5 t -88.83 154.44 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.088 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.437 ' N ' HG11 ' A' ' 42' ' ' VAL . . . 118.32 -15.79 11.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.671 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 74.2 m95 -124.46 146.41 48.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.671 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.9 m0 -162.75 152.76 16.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -114.51 136.58 52.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.3 167.38 28.49 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.16 127.62 53.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.917 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.0 tp -144.08 124.01 13.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 54.69 43.79 29.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.04 42.02 99.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.433 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -140.91 131.5 25.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -111.74 110.5 20.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 22' ' ' ASP . . . -151.61 163.27 29.92 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.2 m -81.25 158.6 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 111.09 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.425 ' C ' ' CD1' ' A' ' 56' ' ' PHE . 5.4 p90 -157.37 152.88 22.19 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.643 0.735 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.47 ' HG3' ' CD2' ' A' ' 16' ' ' TYR . 53.6 Cg_endo -69.76 110.91 2.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.303 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.567 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 1.9 t0 -50.72 -49.45 57.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -42.18 -42.79 3.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.559 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 9.4 m-85 -62.53 -36.54 82.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 58' ' ' ASP . 34.4 m -103.82 177.85 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -142.8 157.45 44.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.533 ' CD2' ' CZ3' ' A' ' 45' ' ' TRP . 3.5 mm? -89.32 121.55 31.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.4 mt -80.6 169.04 18.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.5 p -75.91 -43.01 47.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 136.63 -110.68 0.8 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 68' ' ' SER . 54.0 Cg_endo -69.75 96.34 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 67' ' ' PRO . 53.0 p -34.58 -45.99 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.2 t -130.54 166.8 19.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.884 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 -179.948 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -93.93 122.22 36.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.875 0.369 . . . . 0.0 110.835 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 p -139.56 125.5 19.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.824 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.51 -159.99 24.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 m -113.19 174.94 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.907 0.384 . . . . 0.0 110.84 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 m -148.71 158.47 44.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.4 -171.94 31.25 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -119.61 136.67 54.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -87.47 126.02 34.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.971 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.6 m -124.91 128.55 48.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.4 tttp -85.18 132.09 34.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.419 ' CG1' HD13 ' A' ' 26' ' ' ILE . 95.5 t -88.89 108.19 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -100.73 -27.81 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -110.78 129.74 23.64 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.633 0.73 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 139.72 41.06 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.553 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 87.6 t80 -143.04 118.18 10.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -94.55 110.16 22.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.91 131.69 51.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -90.57 -41.3 11.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -114.01 167.7 10.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -53.31 -45.53 69.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -53.4 -51.28 63.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -59.59 140.54 56.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.6 tp -101.04 144.59 29.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.9 m -92.68 111.99 23.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.419 HD13 ' CG1' ' A' ' 12' ' ' VAL . 34.8 pt -123.68 141.94 42.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -121.4 156.35 32.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -59.73 112.88 1.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.84 40.33 1.1 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -153.98 134.44 13.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 mp -94.75 141.2 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.149 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.1 t -123.23 128.45 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.1 m -75.08 113.55 12.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -61.87 107.41 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.7 mm -73.17 -58.72 4.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -148.06 149.24 31.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -69.65 165.19 21.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -91.74 162.2 14.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.577 ' O ' ' N ' ' A' ' 41' ' ' ASP . 63.0 m -51.98 162.86 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 39' ' ' CYS . 22.0 mt -32.03 -32.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' A' ' 39' ' ' CYS . 9.6 m-20 -69.17 124.48 23.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.3 t -88.57 150.65 3.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.59 -14.06 9.29 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.451 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.669 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 69.6 m95 -126.33 158.25 36.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.771 0.319 . . . . 0.0 110.914 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.669 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.5 m0 -164.1 153.41 13.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -112.87 130.02 56.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.93 160.4 27.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.521 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -108.2 120.68 43.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.916 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.9 tp -128.89 111.0 12.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 66.78 32.38 6.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.84 -23.17 18.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -84.42 121.14 27.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 6.2 ttp-105 -106.71 123.92 48.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.16 164.82 32.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.5 m -79.47 159.9 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 111.09 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.421 ' C ' ' CD1' ' A' ' 56' ' ' PHE . 3.8 p90 -163.5 152.48 12.15 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.669 0.747 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.45 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 53.5 Cg_endo -69.78 119.6 6.52 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.336 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -54.64 -43.43 72.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.489 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 17.2 t-20 -48.29 -36.73 14.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 10.5 m-85 -67.18 -38.52 85.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' A' ' 58' ' ' ASP . 17.9 m -103.45 179.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -144.28 154.92 43.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.472 HD21 ' CH2' ' A' ' 45' ' ' TRP . 3.7 mm? -90.22 125.16 35.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.4 mt -89.03 153.38 21.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.1 p -87.2 119.07 27.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.8 -91.92 1.77 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 100.19 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 t -134.32 111.58 10.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.5 m -46.18 -57.09 4.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.446 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 m 59.38 42.46 17.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.828 0.347 . . . . 0.0 110.831 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.2 m -122.61 112.78 18.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.73 -79.37 0.43 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.539 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.2 t -57.03 -50.23 73.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.832 0.349 . . . . 0.0 110.838 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 t -87.87 139.39 30.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.829 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.39 -92.24 2.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.465 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -132.19 138.35 47.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.484 ' CD2' HG22 ' A' ' 31' ' ' ILE . 2.7 m-85 -86.92 129.2 34.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.8 m -127.7 127.62 44.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -84.11 129.85 34.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 30' ' ' ASP . 76.7 t -87.41 106.84 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.116 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.41 HG12 ' N ' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -99.56 -30.64 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.41 ' N ' HG12 ' A' ' 13' ' ' ILE . 20.9 m-85 -106.88 121.7 44.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.645 0.736 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 133.4 25.47 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.374 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -126.48 157.28 39.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.957 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -127.12 107.28 9.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.65 115.3 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 20' ' ' ASN . 1.9 pt20 -72.42 -34.45 67.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.458 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 4.1 m-80 -134.61 166.79 22.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -47.92 -55.55 9.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -40.29 -45.34 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -72.58 149.43 44.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 tp -107.58 140.36 40.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.4 m -92.76 137.08 32.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.1 pt -143.19 151.14 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.65 161.84 19.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -69.87 111.07 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.93 39.42 1.07 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.403 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 14.3 m-20 -149.03 132.86 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.761 0.315 . . . . 0.0 110.847 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.484 HG22 ' CD2' ' A' ' 9' ' ' TYR . 4.8 mp -94.76 131.08 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.2 t -110.31 128.3 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.3 m -75.75 112.03 11.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.3 tp -58.49 107.49 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 48' ' ' GLU . 48.0 mm -73.16 -59.23 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -144.56 144.71 31.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -70.12 165.19 22.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -95.23 161.9 13.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.598 ' O ' ' N ' ' A' ' 41' ' ' ASP . 23.4 m -52.09 163.57 0.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 39' ' ' CYS . 60.1 mt -32.52 -30.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.598 ' N ' ' O ' ' A' ' 39' ' ' CYS . 3.7 m-20 -69.17 124.5 23.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.832 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.1 t -90.6 152.24 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.81 -15.41 9.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.661 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 62.8 m95 -126.21 155.87 41.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.74 0.305 . . . . 0.0 110.944 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.661 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.1 m0 -164.16 153.57 13.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -113.77 128.2 56.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.49 164.14 26.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . 11.7 tt0 -106.89 127.96 53.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.87 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.8 tp -144.1 116.76 8.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 58.99 39.57 23.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.58 48.32 57.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.474 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -142.99 127.6 18.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.89 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -109.77 107.61 17.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.3 165.1 30.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.4 m -83.15 165.56 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 56' ' ' PHE . 4.4 p90 -167.24 153.23 7.52 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.686 0.755 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 116.05 4.37 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.389 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -53.46 -45.81 69.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.492 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 5.2 p-10 -44.85 -39.91 5.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -63.35 -38.52 91.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' A' ' 58' ' ' ASP . 19.3 m -103.56 177.26 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -142.47 151.02 41.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.571 HD23 ' CZ3' ' A' ' 45' ' ' TRP . 4.2 mm? -88.17 128.62 35.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.5 mt -96.04 162.53 13.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.6 m -99.37 146.98 25.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -163.84 156.96 29.06 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 1.92 4.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.631 2.221 . . . . 0.0 112.29 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.3 p -83.39 160.99 21.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.5 m -140.18 152.24 45.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.797 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 t -118.82 121.09 39.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 0.0 110.859 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 t -45.12 -58.91 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.66 159.85 0.28 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.6 m -72.14 124.86 25.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.853 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -123.21 147.7 46.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.58 -134.42 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.465 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -114.91 146.29 41.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -89.62 131.24 35.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.7 m -126.65 126.43 43.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.0 tttt -84.25 131.68 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.416 HG13 ' CD1' ' A' ' 26' ' ' ILE . 57.5 t -89.74 117.03 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.162 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.56 -30.84 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.464 ' HB3' ' CD2' ' A' ' 60' ' ' PHE . 8.1 m-85 -107.41 125.05 33.27 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.662 0.744 . . . . 0.0 110.828 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 134.54 28.2 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.386 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.43 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 78.0 t80 -143.45 138.55 29.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -110.25 123.59 50.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.29 125.46 25.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.452 ' HG3' ' N ' ' A' ' 20' ' ' ASN . 7.5 pt20 -81.22 -38.93 26.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.452 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 41.2 m-80 -120.81 167.47 12.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -54.55 -44.89 73.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.431 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 21.5 t0 -52.31 -47.89 65.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -67.6 145.24 55.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 tp -102.22 140.04 37.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.7 m -88.5 118.31 28.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.416 ' CD1' HG13 ' A' ' 12' ' ' VAL . 38.1 pt -122.29 136.34 59.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -115.43 168.11 10.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -72.57 107.3 5.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.35 36.16 1.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -142.79 139.03 30.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.809 0.337 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.4 mp -102.83 125.85 57.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.464 ' CG1' ' HA3' ' A' ' 47' ' ' GLY . 99.0 t -98.51 151.26 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.4 m -102.55 108.68 20.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 tp -57.61 104.35 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.4 mt -83.62 -55.75 6.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -134.63 138.63 44.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -73.96 165.3 25.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.402 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 13.6 t70 -102.12 161.51 13.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.586 ' O ' ' N ' ' A' ' 41' ' ' ASP . 2.7 m -52.05 163.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 39' ' ' CYS . 23.8 mt -33.28 -29.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 39' ' ' CYS . 17.5 m-20 -69.17 124.53 24.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 82.6 t -89.32 153.69 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 118.4 -13.3 12.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.667 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 76.2 m95 -126.12 149.77 48.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.735 0.302 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.667 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 9.9 m0 -166.4 159.59 14.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -117.77 136.99 53.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.464 ' HA3' ' CG1' ' A' ' 32' ' ' VAL . . . -153.94 173.05 32.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.519 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -110.01 128.41 55.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.379 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.2 tp -144.09 116.51 8.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 62.24 42.06 9.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.94 43.62 97.21 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -141.37 130.08 22.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.323 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -108.46 106.22 16.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.431 ' CA ' ' O ' ' A' ' 22' ' ' ASP . . . -153.22 166.11 31.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 36.0 m -79.16 158.91 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.36 . . . . 0.0 111.187 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 56' ' ' PHE . 6.2 p90 -155.83 152.84 24.82 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.659 0.742 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 106.88 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.682 2.255 . . . . 0.0 112.351 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.472 ' CG ' ' CZ3' ' A' ' 45' ' ' TRP . 4.0 t0 -48.18 -48.78 34.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -43.3 -46.18 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.464 ' CD2' ' HB3' ' A' ' 14' ' ' PHE . 10.3 m-85 -57.55 -37.76 73.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.2 m -103.36 177.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -142.48 158.8 43.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.581 HD22 ' CZ3' ' A' ' 45' ' ' TRP . 2.9 mm? -89.41 122.16 32.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.6 mt -80.15 143.83 33.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.967 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.5 p -113.81 -37.17 4.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -54.55 -64.9 3.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 94.7 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.704 2.269 . . . . 0.0 112.34 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.2 t -164.99 155.49 14.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.4 t -90.14 107.76 19.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.485 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 t -63.92 145.97 54.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 t -144.18 127.54 16.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.22 -71.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -114.13 150.43 34.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 110.858 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.8 p -115.63 172.55 7.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.74 158.92 30.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -66.71 114.86 5.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.346 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.487 ' CD2' HG23 ' A' ' 31' ' ' ILE . 2.8 m-85 -87.02 128.07 35.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.4 m -125.26 127.27 46.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -86.88 129.57 34.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.8 t -85.12 112.33 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -103.26 -26.85 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -112.35 122.88 35.44 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.645 0.736 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 136.18 32.36 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.553 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 80.3 t80 -138.62 139.37 38.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -107.44 111.72 24.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.47 136.98 57.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.116 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -84.85 -47.92 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -130.98 170.66 14.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -44.92 -42.64 8.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -50.34 -47.97 55.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -76.28 147.76 38.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 25' ' ' THR . 6.9 tp -104.85 150.85 24.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.465 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 19.8 m -96.6 128.15 43.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.0 pt -137.09 140.83 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -116.49 169.2 9.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -73.27 116.5 13.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.49 40.86 2.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -148.23 132.86 17.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.328 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.487 HG23 ' CD2' ' A' ' 9' ' ' TYR . 4.3 mp -96.96 132.59 41.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.0 t -116.58 126.86 74.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.8 m -71.07 127.02 31.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tp -72.99 111.61 8.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.7 mm -78.1 -61.55 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -136.88 146.52 45.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -74.73 165.31 25.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 29.2 t70 -99.57 162.76 12.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 41' ' ' ASP . 2.4 m -51.93 162.76 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' CYS . 49.9 mm -34.29 -28.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.567 ' N ' ' O ' ' A' ' 39' ' ' CYS . 80.8 m-20 -68.87 124.78 24.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.0 t -88.71 146.62 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.33 -11.39 9.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.522 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.667 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 86.9 m95 -126.6 146.68 50.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.667 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.8 m0 -163.0 154.81 17.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -117.36 133.04 56.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.0 171.55 26.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.4 127.32 55.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 34.1 tp -141.56 114.34 8.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 62.25 41.13 10.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.93 41.78 95.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.461 ' HA ' ' CZ ' ' A' ' 52' ' ' ARG . 1.5 mmp_? -137.44 130.7 30.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.777 0.322 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.0 mtm-85 -109.65 110.93 22.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.13 162.86 31.62 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.0 m -79.38 165.58 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 56' ' ' PHE . 4.9 p90 -165.99 153.16 9.1 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.676 0.75 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 111.97 2.96 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.707 2.271 . . . . 0.0 112.345 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.571 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.7 t0 -50.05 -46.62 53.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.832 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -45.74 -43.09 12.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 5.7 m-85 -59.92 -37.43 79.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 58' ' ' ASP . 18.1 m -103.34 174.99 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.9 ttmm -138.65 153.36 48.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.944 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.534 ' CD2' ' CZ3' ' A' ' 45' ' ' TRP . 4.1 mm? -89.01 106.77 18.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.1 mt -75.57 154.97 36.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.1 p -88.78 -49.96 6.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.29 75.3 0.38 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.5 3.47 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.642 2.228 . . . . 0.0 112.353 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.7 m -49.7 -44.53 48.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.8 m 56.44 42.26 27.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -88.0 -50.88 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.8 p -86.09 127.66 34.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.18 104.56 3.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 p -48.45 -45.17 36.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.896 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.8 p -62.58 -55.11 30.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.84 122.73 30.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -101.64 147.49 26.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.482 ' CD2' HG23 ' A' ' 31' ' ' ILE . 3.4 m-85 -88.17 125.15 34.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.8 m -121.29 126.64 50.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -83.92 129.1 34.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.0 t -87.38 107.77 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.167 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.422 HG12 ' N ' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -99.97 -32.24 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.422 ' N ' HG12 ' A' ' 13' ' ' ILE . 49.1 m-85 -103.76 124.75 36.75 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.659 0.743 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 128.54 16.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.488 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 72.2 t80 -130.04 153.58 48.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -121.86 115.03 21.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.74 137.66 54.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.424 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 27.5 tp60 -78.52 -45.56 21.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -144.87 175.35 10.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -40.57 -37.85 0.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.85 -46.22 90.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.424 ' CD ' ' HB3' ' A' ' 19' ' ' GLN . 33.5 mt-10 -74.23 144.14 44.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.458 ' HG ' ' N ' ' A' ' 25' ' ' THR . 5.8 tp -104.46 150.4 24.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.458 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 90.8 m -97.77 136.32 38.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.427 ' N ' HG22 ' A' ' 25' ' ' THR . 22.7 pt -142.79 134.09 24.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -116.32 153.12 32.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -57.77 109.83 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.72 40.27 0.86 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -154.12 136.31 14.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.482 HG23 ' CD2' ' A' ' 9' ' ' TYR . 3.8 mp -98.4 137.17 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.171 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.472 ' N ' HG21 ' A' ' 31' ' ' ILE . 49.5 t -119.93 122.04 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.3 m -70.67 114.71 9.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.0 tp -62.52 110.23 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.3 mm -76.65 -58.55 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -137.59 143.96 41.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.8 mttp -74.75 164.7 26.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.41 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 11.7 t70 -98.95 161.57 13.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.581 ' O ' ' N ' ' A' ' 41' ' ' ASP . 95.4 m -52.02 163.15 0.38 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 39' ' ' CYS . 28.0 mt -33.05 -30.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 39' ' ' CYS . 1.8 m-20 -69.27 124.5 24.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 43' ' ' GLY . 66.4 t -89.39 153.19 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.458 ' N ' HG13 ' A' ' 42' ' ' VAL . . . 120.0 -15.85 10.21 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.67 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 76.1 m95 -123.57 150.93 43.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.745 0.307 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.67 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.2 m0 -166.53 152.57 8.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -116.01 132.67 56.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.07 169.04 26.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -108.21 125.32 51.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.899 0.381 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.3 tp -136.87 120.21 16.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 52.81 41.1 31.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.8 42.2 80.06 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -136.64 126.99 26.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.331 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.1 mtm-85 -109.46 107.75 18.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.89 160.66 29.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.467 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.9 m -79.59 152.04 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 111.135 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -151.28 152.87 31.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 112.75 3.16 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.565 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 1.3 t0 -52.33 -49.53 64.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -42.04 -40.36 2.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.488 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 7.4 m-85 -65.09 -36.89 85.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 58' ' ' ASP . 13.2 m -102.85 174.39 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.096 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -139.98 155.81 46.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.515 ' CD2' ' CZ3' ' A' ' 45' ' ' TRP . 3.7 mm? -89.29 121.04 31.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.5 mt -77.3 113.34 14.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.3 t 57.23 42.11 25.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.822 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.33 89.49 0.38 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 113.34 3.34 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.649 2.233 . . . . 0.0 112.365 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.4 t -131.11 137.54 49.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.3 m -84.21 150.83 25.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.953 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.4 m -59.21 -46.97 87.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 0.0 110.865 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 m 61.77 42.74 10.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.92 159.11 27.61 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -126.28 131.06 51.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.881 0.372 . . . . 0.0 110.897 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 t -107.43 144.33 34.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.96 178.36 42.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -121.3 115.82 23.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.455 ' CD2' HG23 ' A' ' 31' ' ' ILE . 2.9 m-85 -87.66 142.29 27.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.7 m -139.11 126.21 21.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -87.82 130.48 34.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.5 t -82.44 111.7 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.43 HG12 ' N ' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -99.81 -28.23 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.43 ' N ' HG12 ' A' ' 13' ' ' ILE . 11.2 m-85 -111.67 126.68 28.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 120.54 7.31 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.325 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.556 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 76.5 t80 -122.91 142.91 50.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -116.47 114.98 24.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.41 ' HB1' ' C ' ' A' ' 23' ' ' GLU . . . -56.27 134.4 53.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -88.09 -39.89 14.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -129.43 156.28 44.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -39.65 -37.53 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.85 -50.35 70.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.41 ' C ' ' HB1' ' A' ' 18' ' ' ALA . 23.5 mt-10 -67.66 153.96 42.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 25' ' ' THR . 7.7 tp -108.57 150.57 27.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.445 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 99.2 m -92.73 130.19 38.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.3 pt -139.7 140.7 36.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.55 149.18 47.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -54.67 114.65 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.32 39.4 1.24 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.526 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -153.59 130.9 11.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.83 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.455 HG23 ' CD2' ' A' ' 9' ' ' TYR . 4.5 mp -94.43 125.61 47.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.8 t -106.21 126.7 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.6 m -74.42 118.13 17.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.6 tp -66.99 112.77 4.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.457 HG22 ' ND2' ' A' ' 36' ' ' ASN . 35.4 mm -79.43 -60.73 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.457 ' ND2' HG22 ' A' ' 35' ' ' ILE . 63.5 m-80 -137.54 146.8 44.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -74.87 165.87 24.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 14.3 t70 -98.2 162.2 13.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.545 ' O ' ' N ' ' A' ' 41' ' ' ASP . 79.8 m -51.93 162.8 0.4 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.473 ' C ' ' O ' ' A' ' 39' ' ' CYS . 72.5 mt -32.07 -33.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.545 ' N ' ' O ' ' A' ' 39' ' ' CYS . 37.5 m-20 -68.19 124.66 24.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.4 t -88.17 154.7 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.21 -18.75 10.22 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.664 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 75.8 m95 -120.95 146.56 46.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.706 0.288 . . . . 0.0 110.943 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.664 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 11.2 m0 -161.64 152.12 17.55 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -114.51 137.65 51.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -153.16 163.85 30.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -100.71 129.33 46.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.861 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 29.0 tp -143.75 114.7 7.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 62.13 42.62 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.63 38.03 95.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.537 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.0 mtp85 -136.2 131.18 34.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.775 0.322 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -110.12 110.62 21.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.48 166.11 32.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.505 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.2 m -83.25 163.47 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 111.157 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 56' ' ' PHE . 8.3 p90 -164.44 152.92 11.09 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.665 0.745 . . . . 0.0 110.837 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 118.47 5.7 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.628 2.219 . . . . 0.0 112.339 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.567 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 1.7 t0 -57.2 -32.81 66.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -57.11 -33.11 67.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.556 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 16.7 m-85 -78.34 -1.9 35.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.402 ' O ' ' O ' ' A' ' 58' ' ' ASP . 33.1 m -139.01 174.81 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -144.01 154.38 43.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.567 ' CD2' ' CZ3' ' A' ' 45' ' ' TRP . 4.3 mm? -87.77 114.73 24.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.4 mt -74.77 111.07 9.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.8 m -83.62 159.9 21.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 152.07 -137.95 6.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -14.29 35.89 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.692 2.261 . . . . 0.0 112.349 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.1 p -63.49 127.29 30.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -157.32 154.05 28.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -87.02 138.86 31.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.9 m -133.52 128.51 35.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.547 ' CB ' HD21 ' A' ' 64' ' ' LEU . 52.1 tttm -87.78 129.06 35.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 27' ' ' LYS . 82.4 t -85.68 119.95 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.802 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -113.07 -24.62 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.846 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -112.82 125.99 29.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.664 0.745 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 132.39 23.37 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.677 2.251 . . . . 0.0 112.413 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.492 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 59.3 t80 -129.7 157.73 41.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.963 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -130.18 105.06 7.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.496 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -58.19 123.72 16.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.079 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -76.03 -43.96 41.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -124.35 166.3 16.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -44.83 -47.25 11.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.461 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 15.6 m-20 -47.08 -49.02 22.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.496 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 19.7 mt-10 -72.16 142.8 49.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.9 tp -103.21 143.29 32.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.7 m -90.8 117.37 29.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.1 pt -125.11 145.65 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.496 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 22.0 mmtp -116.43 167.73 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -75.61 118.61 18.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.08 34.02 3.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -143.39 144.31 32.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.573 HD12 ' N ' ' A' ' 31' ' ' ILE . 3.3 mp -102.74 136.9 32.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.691 HG22 HD13 ' A' ' 49' ' ' LEU . 96.0 t -121.01 126.54 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.3 m -74.35 115.98 14.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.5 tp -65.09 113.72 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.6 mm -79.19 -59.88 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -137.95 143.84 40.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -74.59 165.34 25.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 10.5 t0 -98.42 161.54 13.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.572 ' O ' ' N ' ' A' ' 41' ' ' ASP . 17.6 m -51.98 163.03 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.744 ' H ' HD12 ' A' ' 40' ' ' ILE . 4.4 mp -32.73 -31.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.572 ' N ' ' O ' ' A' ' 39' ' ' CYS . 40.3 m-20 -69.32 124.56 24.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 43' ' ' GLY . 60.8 t -88.82 153.82 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.426 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 119.4 -16.84 10.53 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.473 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.66 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 70.5 m95 -124.29 145.38 49.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.768 0.318 . . . . 0.0 110.93 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.66 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 11.2 m0 -161.16 154.83 22.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -116.72 133.44 56.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.69 170.13 27.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -109.78 126.33 53.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.895 0.378 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.691 HD13 HG22 ' A' ' 32' ' ' VAL . 26.7 tp -143.98 126.53 15.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 56.69 42.52 26.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.99 50.01 72.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -142.51 160.96 39.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -135.98 108.36 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.461 ' CA ' ' O ' ' A' ' 22' ' ' ASP . . . -155.9 165.9 32.79 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.1 m -83.06 162.98 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -161.41 153.1 16.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.633 0.73 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 54.4 Cg_endo -69.7 107.98 1.97 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.38 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.543 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.2 t0 -46.96 -47.79 21.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.835 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -44.12 -46.93 8.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.492 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 6.7 m-85 -56.04 -38.39 70.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.0 m -103.07 177.55 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -143.1 156.45 44.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.543 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.9 mm? -90.67 126.59 36.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.547 HD21 ' CB ' ' A' ' 11' ' ' LYS . 29.4 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.846 0.355 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.468 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.8 m-85 -88.03 139.04 30.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.404 ' SG ' HD13 ' A' ' 63' ' ' LEU . 60.3 m -136.45 123.08 21.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -85.21 129.96 34.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 30' ' ' ASP . 88.2 t -80.31 114.31 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.416 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -99.21 -30.93 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -113.49 131.62 22.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 133.52 25.84 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.456 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 51.8 t80 -130.43 137.05 49.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.936 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.35 105.35 13.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -54.73 123.11 12.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -77.57 -43.44 31.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -125.62 159.44 32.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.57 -52.62 2.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -41.45 -52.01 3.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.424 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 1.7 mp0 -65.01 152.22 43.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.5 tp -111.64 135.53 52.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.2 m -82.54 130.33 35.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.55 HG22 HD22 ' A' ' 49' ' ' LEU . 42.9 pt -140.11 137.65 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -110.69 164.13 13.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -68.89 110.77 4.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.47 38.17 1.37 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.455 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.3 m-20 -145.04 127.97 16.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.742 0.306 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.468 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.4 mp -90.43 136.76 23.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.454 HG22 HD13 ' A' ' 49' ' ' LEU . 90.0 t -119.67 124.1 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.6 m -72.56 113.06 9.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.175 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 tp -58.5 106.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.824 HD11 ' HB2' ' A' ' 48' ' ' GLU . 42.2 mm -73.82 -59.45 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -142.68 146.02 33.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -73.45 165.06 25.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 44' ' ' TRP . 18.9 t70 -95.71 161.56 13.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.59 ' O ' ' N ' ' A' ' 41' ' ' ASP . 36.2 m -52.01 163.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.712 ' H ' HD12 ' A' ' 40' ' ' ILE . 4.6 mp -32.67 -30.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -69.24 124.42 23.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.853 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.6 t -90.16 151.62 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.29 -15.09 9.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.447 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.669 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 69.3 m95 -125.89 153.23 44.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.314 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.669 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.4 m0 -164.1 155.39 15.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.955 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -116.03 139.19 50.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.3 163.51 29.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.824 ' HB2' HD11 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -105.77 121.7 44.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.92 0.391 . . . . 0.0 110.887 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.55 HD22 HG22 ' A' ' 26' ' ' ILE . 43.5 tp -135.33 116.33 14.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.4 m120 56.56 41.28 28.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.3 44.63 74.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -138.99 125.51 20.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 -107.79 107.47 18.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.53 165.93 31.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.525 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.8 m -85.51 158.87 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 111.137 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.419 ' C ' ' CD1' ' A' ' 56' ' ' PHE . 4.3 p90 -158.07 151.76 19.39 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.71 0.767 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.495 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 53.6 Cg_endo -69.73 117.89 5.35 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.664 2.242 . . . . 0.0 112.383 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.585 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -54.49 -24.77 21.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -65.37 -31.81 73.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.495 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 13.7 m-85 -80.24 -3.18 48.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.423 HG12 HG22 ' A' ' 12' ' ' VAL . 34.4 m -136.83 175.73 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -145.83 150.02 35.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.562 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.1 mm? -86.18 121.56 28.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.6 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.855 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -88.58 150.32 23.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.935 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.0 m -144.68 120.34 10.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -85.57 129.68 34.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 30' ' ' ASP . 90.2 t -82.74 115.38 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.463 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -102.01 -28.19 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -111.13 131.26 22.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.646 0.736 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 131.93 22.26 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.718 2.278 . . . . 0.0 112.322 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.567 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 78.8 t80 -148.18 121.0 8.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.605 ' HA ' HG23 ' A' ' 25' ' ' THR . 8.0 pt-20 -97.2 126.59 42.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.526 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -58.21 130.1 45.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.478 ' HG3' ' N ' ' A' ' 20' ' ' ASN . 21.9 pt20 -76.38 -40.47 50.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.478 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 35.8 m120 -135.4 163.02 30.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -38.48 -51.22 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.466 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 35.0 t0 -45.31 -57.16 4.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.475 ' OE1' ' CG ' ' A' ' 19' ' ' GLN . 3.4 mp0 -58.74 167.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.526 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 3.5 tp -123.54 129.29 50.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.605 HG23 ' HA ' ' A' ' 17' ' ' GLU . 1.2 m -78.03 116.41 18.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 29.9 pt -123.53 143.3 37.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -116.24 162.39 17.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -70.86 115.78 10.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.8 40.52 2.14 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 12' ' ' VAL . 16.4 m-20 -148.13 133.15 18.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.43 HD12 ' N ' ' A' ' 31' ' ' ILE . 4.2 mp -88.24 147.64 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.3 t -130.4 120.97 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 84.9 m -70.3 108.88 4.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.1 tp -58.32 105.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.7 mm -70.68 -63.01 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -141.57 139.98 33.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -65.98 165.32 13.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 44' ' ' TRP . 20.5 t70 -94.16 161.89 14.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.585 ' O ' ' N ' ' A' ' 41' ' ' ASP . 99.8 m -52.03 163.27 0.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.9 OUTLIER -32.05 -31.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.585 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -69.23 124.6 24.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.476 HG12 ' N ' ' A' ' 43' ' ' GLY . 75.2 t -89.39 156.03 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.476 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 116.7 -16.07 14.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.547 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.662 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 66.8 m95 -125.77 151.0 47.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.782 0.325 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.662 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.9 m0 -161.71 154.25 20.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -114.35 140.91 48.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.98 170.46 31.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.442 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -113.72 123.85 50.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.438 ' HB3' HD11 ' A' ' 24' ' ' LEU . 26.7 tp -144.07 118.6 9.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.3 m120 62.3 41.06 10.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.38 45.81 94.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -143.0 131.18 21.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.835 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -112.92 105.76 13.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.466 ' CA ' ' O ' ' A' ' 22' ' ' ASP . . . -149.44 166.08 29.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.7 m -82.9 161.18 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.416 ' HE1' HG21 ' A' ' 61' ' ' VAL . 10.5 p90 -161.66 152.02 14.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.611 0.719 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.509 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 54.2 Cg_endo -69.76 119.38 6.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -56.06 -24.27 38.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -65.24 -29.01 69.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 32.1 m-85 -84.05 -1.07 54.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' A' ' 58' ' ' ASP . 21.4 m -137.62 175.55 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -145.53 149.78 35.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.578 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.1 mm? -86.82 114.53 23.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.896 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.706 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.8 m-85 -91.0 127.54 36.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.4 m -125.25 122.26 36.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -84.67 129.6 34.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 30' ' ' ASP . 70.4 t -83.85 114.27 24.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.136 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.758 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -98.42 -32.22 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -112.13 127.47 26.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.677 0.751 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 131.38 21.04 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.566 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 66.1 t80 -127.49 155.65 43.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -124.21 113.4 18.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.39 106.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -67.12 -40.4 86.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -119.49 176.15 5.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -58.57 -55.0 40.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.424 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 12.4 m-20 -47.52 -45.84 26.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -58.0 148.95 24.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.5 tp -110.43 144.5 39.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.5 m -89.92 121.54 32.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.9 pt -129.62 151.75 36.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -130.46 154.15 48.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -59.7 110.05 1.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.14 41.66 0.81 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.476 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.478 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.3 m-20 -153.34 123.52 7.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.781 0.324 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.706 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.0 mp -85.88 124.67 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.948 HG22 HD13 ' A' ' 49' ' ' LEU . 69.7 t -106.44 125.5 62.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.4 m -75.98 115.21 15.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.9 tp -60.15 113.36 2.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.819 HD11 ' HB2' ' A' ' 48' ' ' GLU . 36.5 mm -81.36 -59.73 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -138.2 135.95 36.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -67.34 165.16 16.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.433 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 27.5 t70 -99.37 161.55 13.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 41' ' ' ASP . 68.1 m -52.01 162.99 0.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.46 ' C ' ' O ' ' A' ' 39' ' ' CYS . 46.1 mm -33.08 -30.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 39' ' ' CYS . 73.7 m-20 -69.24 124.58 24.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -88.97 150.0 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 57' ' ' PRO . . . 121.94 -12.85 9.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.478 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.674 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 77.1 m95 -126.17 148.8 49.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.727 0.299 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.674 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.3 m0 -165.24 152.49 10.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.435 ' HG3' ' C ' ' A' ' 54' ' ' GLY . 10.4 tt0 -117.95 128.02 54.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.39 172.86 21.97 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.819 ' HB2' HD11 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -112.3 123.2 49.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.859 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.948 HD13 HG22 ' A' ' 32' ' ' VAL . 7.4 tp -142.28 127.22 18.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 m120 54.49 41.65 31.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.83 46.34 94.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -141.91 137.65 31.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -114.88 111.48 21.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.435 ' C ' ' HG3' ' A' ' 46' ' ' GLU . . . -154.93 164.94 32.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.4 m -84.02 163.04 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 111.124 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -162.59 153.34 14.4 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.669 0.747 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 53.9 Cg_endo -69.77 110.21 2.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.34 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.552 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 1.6 t0 -48.49 -34.23 10.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -56.04 -34.63 66.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.566 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 8.8 m-85 -76.46 -0.07 21.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.9 m -140.58 173.65 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -144.22 151.97 40.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.525 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.1 mm? -86.29 111.66 20.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 23.0 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.853 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -89.45 148.46 23.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.448 ' SG ' HD13 ' A' ' 63' ' ' LEU . 64.6 m -145.52 123.83 12.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -87.92 132.43 34.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.625 HG21 ' HB ' ' A' ' 26' ' ' ILE . 48.8 t -81.6 118.91 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.487 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -100.43 -20.94 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.163 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.448 ' HB3' ' CD2' ' A' ' 60' ' ' PHE . 9.1 m-85 -125.17 131.84 24.17 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.641 0.734 . . . . 0.0 110.853 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 116.17 4.43 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.572 ' CE2' ' HG3' ' A' ' 57' ' ' PRO . 53.8 t80 -119.97 117.7 28.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -92.87 124.86 37.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.524 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -68.97 142.5 54.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -92.87 -44.79 8.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -122.64 164.32 18.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -41.98 -51.72 4.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -46.39 -56.37 5.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.524 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 35.0 mt-10 -57.66 148.73 23.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 tp -112.13 144.79 40.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.421 ' O ' HD23 ' A' ' 49' ' ' LEU . 89.7 m -92.07 129.76 37.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.625 ' HB ' HG21 ' A' ' 12' ' ' VAL . 20.1 pt -132.22 125.17 53.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.5 171.8 9.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.62 104.82 13.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.56 33.84 2.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.531 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.538 ' O ' HG23 ' A' ' 12' ' ' VAL . 10.2 m-20 -131.48 128.33 39.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mp -85.32 135.9 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.407 HG22 HD13 ' A' ' 49' ' ' LEU . 84.6 t -121.05 130.17 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 62.5 m -76.39 114.38 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.6 tp -63.42 109.5 1.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.604 HD11 ' HB2' ' A' ' 48' ' ' GLU . 46.8 mm -74.92 -62.03 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -140.71 146.85 38.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -70.56 165.37 22.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.438 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 31.6 t70 -94.84 162.15 13.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.569 ' O ' ' N ' ' A' ' 41' ' ' ASP . 7.4 m -52.01 162.41 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.459 ' C ' ' O ' ' A' ' 39' ' ' CYS . 49.7 mt -32.73 -31.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.569 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -69.04 124.63 24.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.6 t -88.42 150.05 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.71 -13.28 9.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.68 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 74.2 m95 -126.4 153.76 44.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.742 0.306 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.68 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.5 m0 -164.67 154.31 13.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -114.68 141.07 48.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -153.69 166.64 31.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.604 ' HB2' HD11 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -108.72 123.15 48.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.862 0.363 . . . . 0.0 110.932 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 25' ' ' THR . 44.2 tp -140.48 113.69 8.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.5 m120 64.15 39.39 7.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.4 45.47 85.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.526 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -140.78 126.09 18.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.88 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -107.61 105.81 15.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -151.08 165.99 30.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.442 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.9 m -84.53 160.95 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.858 0.361 . . . . 0.0 111.114 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.543 ' HE1' HG21 ' A' ' 61' ' ' VAL . 10.2 p90 -161.53 152.55 15.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.738 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.572 ' HG3' ' CE2' ' A' ' 16' ' ' TYR . 54.3 Cg_endo -69.73 118.29 5.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.26 . . . . 0.0 112.337 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -52.6 -34.56 51.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -54.84 -31.95 59.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.556 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 34.8 m-85 -82.29 11.36 5.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.543 HG21 ' HE1' ' A' ' 56' ' ' PHE . 34.0 m -152.62 173.52 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -143.67 150.0 38.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.566 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.0 mm? -86.42 117.93 25.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.7 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.892 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.823 0.345 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.621 ' CD2' HG21 ' A' ' 31' ' ' ILE . 3.3 m-85 -90.08 139.95 30.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.5 m -131.91 124.83 30.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -85.27 129.31 34.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 30' ' ' ASP . 88.1 t -82.6 110.61 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.664 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.35 -31.26 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -109.26 128.26 25.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.659 0.743 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 139.06 39.12 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.652 2.235 . . . . 0.0 112.304 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -145.01 128.27 16.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -101.52 107.57 18.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.24 108.55 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -68.0 -41.38 82.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.59 154.1 27.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -49.69 -40.23 39.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.07 -48.0 71.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -64.58 156.54 29.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 tp -110.34 134.26 52.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.1 m -80.7 123.47 28.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.166 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.516 HG22 HD22 ' A' ' 49' ' ' LEU . 30.0 pt -130.4 138.51 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 mmtm -116.78 157.78 24.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -62.69 117.88 6.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.84 38.81 2.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.571 ' O ' HG23 ' A' ' 12' ' ' VAL . 10.6 m-20 -147.69 131.6 17.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.621 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.2 mp -95.44 136.82 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.48 HG22 HD13 ' A' ' 49' ' ' LEU . 57.0 t -119.02 123.72 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.3 m -69.25 119.98 14.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 tp -68.12 106.06 2.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.1 mm -75.78 -61.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -137.19 142.58 42.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -71.19 165.11 24.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.442 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 30.5 t70 -96.91 161.42 13.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.56 ' O ' ' N ' ' A' ' 41' ' ' ASP . 78.9 m -51.94 162.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 39' ' ' CYS . 63.1 mt -32.38 -31.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' A' ' 39' ' ' CYS . 65.9 m-20 -69.17 124.62 24.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 43' ' ' GLY . 79.4 t -88.27 156.31 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.474 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 116.53 -15.95 14.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.54 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.67 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 75.9 m95 -123.34 150.64 43.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.761 0.315 . . . . 0.0 110.91 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.67 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.5 m0 -165.14 152.23 10.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -114.2 136.26 53.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.418 ' HA3' HG12 ' A' ' 32' ' ' VAL . . . -153.5 166.66 31.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -100.48 129.83 46.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.516 HD22 HG22 ' A' ' 26' ' ' ILE . 54.5 tp -144.11 119.76 10.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 59.77 47.56 10.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.83 38.53 92.46 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -133.17 158.9 41.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.63 108.08 9.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.36 163.1 31.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.8 m -82.97 160.77 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.38 . . . . 0.0 111.098 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.552 ' CE1' HG21 ' A' ' 61' ' ' VAL . 10.5 p90 -157.38 152.94 22.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.651 0.739 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.41 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 53.9 Cg_endo -69.8 110.38 2.55 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.345 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.544 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.2 t0 -49.86 -51.15 42.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -40.74 -43.34 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -63.18 -35.83 81.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.552 HG21 ' CE1' ' A' ' 56' ' ' PHE . 33.2 m -102.93 175.05 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -141.68 155.17 45.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.57 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.0 mm? -89.76 117.04 28.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 71.5 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.884 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.815 0.341 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -87.43 143.56 27.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.7 m -141.2 120.5 13.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -84.71 130.52 34.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.9 t -83.43 110.61 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.662 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -95.92 -28.07 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.4 ' HB3' ' CD2' ' A' ' 60' ' ' PHE . 34.1 m-85 -113.71 128.68 25.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.678 0.751 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 136.08 32.15 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -152.27 113.78 4.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.835 ' HA ' HG23 ' A' ' 25' ' ' THR . 6.2 pt-20 -92.09 127.32 37.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.936 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.406 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -62.58 130.89 47.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.401 ' HG3' ' N ' ' A' ' 20' ' ' ASN . 2.6 pt20 -78.55 -37.0 43.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 21' ' ' ASP . 5.4 m120 -128.46 150.28 50.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 20' ' ' ASN . 22.5 m-20 -34.14 -46.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -46.51 -58.84 3.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.53 ' OE1' HG23 ' A' ' 55' ' ' VAL . 3.6 mm-40 -62.86 154.36 30.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.509 HD11 ' HB3' ' A' ' 49' ' ' LEU . 6.5 tp -108.28 127.58 53.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.835 HG23 ' HA ' ' A' ' 17' ' ' GLU . 11.6 m -76.49 105.67 7.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.094 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.4 pt -106.57 141.31 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.136 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -118.61 160.86 21.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -67.54 122.76 18.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.77 40.94 3.97 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -146.32 117.86 8.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.323 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 31' ' ' ILE . 4.0 mp -82.28 119.13 31.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.514 HG22 HD13 ' A' ' 49' ' ' LEU . 99.6 t -98.66 128.67 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.8 m -77.61 109.65 11.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -58.45 107.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.536 HD11 ' HB2' ' A' ' 48' ' ' GLU . 44.7 mm -75.49 -60.94 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -141.66 146.48 36.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -71.7 165.25 24.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -94.74 161.16 14.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.588 ' O ' ' N ' ' A' ' 41' ' ' ASP . 7.1 t -51.98 163.43 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 39' ' ' CYS . 29.0 mm -32.46 -31.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' A' ' 39' ' ' CYS . 64.1 m-20 -69.26 124.32 23.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 t -89.87 151.88 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.0 -14.43 9.6 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.552 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.678 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 68.8 m95 -126.03 156.57 39.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.769 0.319 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.678 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.1 m0 -166.03 153.66 10.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -114.48 140.74 48.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.93 172.6 31.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.536 ' HB2' HD11 ' A' ' 35' ' ' ILE . 8.2 tt0 -114.92 127.2 55.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.514 HD13 HG22 ' A' ' 32' ' ' VAL . 16.4 tp -141.42 119.24 11.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.8 m120 54.29 40.47 31.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.47 46.92 60.42 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 59.5 mtt85 -139.21 125.36 20.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -108.66 107.3 17.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.03 163.92 32.08 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.53 HG23 ' OE1' ' A' ' 23' ' ' GLU . 34.6 m -80.31 166.58 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.853 0.359 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -167.27 152.21 6.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.671 0.748 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 122.0 8.69 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.585 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -59.52 -39.54 84.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.464 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 0.8 OUTLIER -51.32 -24.09 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.436 ' C ' HG13 ' A' ' 61' ' ' VAL . 16.8 m-85 -89.06 18.03 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 58' ' ' ASP . 18.9 m -158.26 177.39 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -145.05 145.75 31.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.514 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.4 mm? -82.49 120.47 25.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.6 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.906 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.791 0.329 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.404 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.8 m-85 -87.09 136.78 32.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.8 m -134.0 124.77 26.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -84.95 130.33 34.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.524 HG21 ' HB ' ' A' ' 26' ' ' ILE . 97.4 t -83.46 110.54 18.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.756 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -94.33 -32.94 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.423 ' N ' HG12 ' A' ' 13' ' ' ILE . 48.8 m-85 -109.22 128.85 24.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.743 . . . . 0.0 110.853 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.421 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 53.9 Cg_endo -69.77 128.61 16.27 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.395 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.544 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 23.0 t80 -131.12 137.61 49.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -112.14 111.2 21.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.497 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -55.82 112.7 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -59.14 -43.26 92.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -131.28 173.1 11.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 22' ' ' ASP . 3.5 p-10 -46.81 -60.0 2.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -36.03 -52.64 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.43 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 40.2 mp0 -67.44 147.95 52.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.497 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 7.6 tp -102.62 149.36 24.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.447 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 19.6 m -95.32 123.32 38.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.524 ' HB ' HG21 ' A' ' 12' ' ' VAL . 31.2 pt -129.1 133.49 65.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -108.1 174.07 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.421 ' CG ' ' HD3' ' A' ' 15' ' ' PRO . 51.9 mt-10 -77.11 117.26 18.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.831 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.2 40.7 3.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.439 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.1 m-20 -144.73 126.63 15.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.75 0.309 . . . . 0.0 110.847 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.404 HG21 ' CD2' ' A' ' 9' ' ' TYR . 5.2 mp -90.76 135.75 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.75 HG22 HD13 ' A' ' 49' ' ' LEU . 60.3 t -113.88 125.88 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.2 m -72.02 110.52 6.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.4 tp -59.34 109.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.658 HD11 ' HB2' ' A' ' 48' ' ' GLU . 32.1 mm -76.92 -62.16 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.133 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -140.67 144.71 35.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -70.29 165.43 22.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 17.5 t70 -95.37 162.63 13.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.58 ' O ' ' N ' ' A' ' 41' ' ' ASP . 84.3 m -51.95 163.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.714 ' H ' HD12 ' A' ' 40' ' ' ILE . 4.7 mp -32.91 -30.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' A' ' 39' ' ' CYS . 79.2 m-20 -69.34 124.67 24.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 t -89.47 149.01 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.48 -13.9 8.77 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.66 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 72.6 m95 -126.69 150.2 49.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.773 0.32 . . . . 0.0 110.919 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.66 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 11.1 m0 -160.91 155.15 23.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -115.74 142.35 46.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.0 172.94 31.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.541 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.658 ' HB2' HD11 ' A' ' 35' ' ' ILE . 8.4 tt0 -116.17 128.38 55.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.75 HD13 HG22 ' A' ' 32' ' ' VAL . 12.0 tp -144.01 112.92 6.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.2 m120 61.02 46.48 8.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.95 39.82 98.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.5 mmt-85 -132.61 133.92 44.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.819 0.342 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 17.2 mtm105 -115.61 109.97 18.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.43 163.37 30.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.5 m -85.98 158.2 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -157.66 149.83 17.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.647 0.736 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.534 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 53.8 Cg_endo -69.74 120.81 7.54 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.638 2.225 . . . . 0.0 112.356 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -55.46 -31.36 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -59.14 -27.75 65.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.544 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 23.7 m-85 -83.86 -4.76 58.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.523 HG22 ' HA ' ' A' ' 58' ' ' ASP . 17.0 m -135.89 174.79 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -143.56 149.35 37.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.498 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.0 mm? -86.81 114.13 23.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.4 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.876 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.816 0.341 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.487 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.7 m-85 -87.03 127.39 35.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.0 m -125.79 130.65 51.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.526 ' HB2' HD21 ' A' ' 64' ' ' LEU . 78.5 tttt -86.2 129.6 34.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.454 HG22 HG12 ' A' ' 61' ' ' VAL . 94.6 t -87.33 106.57 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.755 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -94.36 -34.46 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.45 ' N ' HG12 ' A' ' 13' ' ' ILE . 15.4 m-85 -106.24 129.09 25.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.678 0.751 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 140.88 43.54 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.475 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 86.4 t80 -146.8 140.33 25.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -112.74 120.75 42.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.457 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -62.16 110.25 1.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -68.99 -41.83 77.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -118.99 156.39 29.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -39.53 -55.53 1.8 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -44.65 -55.65 5.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -53.8 146.31 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.476 ' HG ' ' N ' ' A' ' 25' ' ' THR . 7.5 tp -104.72 151.1 24.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.476 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 20.0 m -95.86 113.36 24.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.443 ' HB ' HG21 ' A' ' 12' ' ' VAL . 29.9 pt -121.3 145.77 27.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -123.72 158.97 30.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -66.99 116.9 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.98 42.5 1.93 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -154.16 137.18 15.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.726 0.298 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.487 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.7 mp -96.11 141.68 15.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.572 HG22 HD13 ' A' ' 49' ' ' LEU . 48.6 t -124.49 136.08 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.8 m -78.28 117.78 19.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 tp -64.57 114.06 4.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.788 HD11 ' HB2' ' A' ' 48' ' ' GLU . 18.1 mm -77.18 -53.95 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -151.49 150.85 30.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -75.31 165.26 25.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.442 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 31.7 t70 -98.83 161.73 13.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.845 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.578 ' O ' ' N ' ' A' ' 41' ' ' ASP . 81.0 m -51.98 163.43 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 39' ' ' CYS . 24.1 mt -33.17 -29.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.578 ' N ' ' O ' ' A' ' 39' ' ' CYS . 76.2 m-20 -69.17 124.47 23.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.5 t -89.88 147.4 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 57' ' ' PRO . . . 122.8 -11.09 8.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.678 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 84.1 m95 -126.58 150.79 48.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.759 0.314 . . . . 0.0 110.928 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.678 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.5 m0 -164.96 154.52 13.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -117.24 123.44 46.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -134.11 160.25 24.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.51 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.788 ' HB2' HD11 ' A' ' 35' ' ' ILE . 15.5 tt0 -109.26 128.54 55.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 0.0 110.856 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.572 HD13 HG22 ' A' ' 32' ' ' VAL . 5.7 tp -142.98 125.91 16.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.1 m120 62.57 33.11 16.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.26 31.92 56.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.457 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 -143.19 120.69 11.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.796 0.332 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -106.56 123.46 48.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.62 166.41 31.27 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.0 m -79.04 152.34 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.523 ' CE1' HG21 ' A' ' 61' ' ' VAL . 4.5 p90 -158.84 153.32 20.47 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.681 0.753 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 53.8 Cg_endo -69.76 107.02 1.77 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.313 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.547 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.3 t0 -44.36 -51.57 8.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -37.71 -47.6 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.475 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 6.6 m-85 -58.06 -39.0 77.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.523 HG21 ' CE1' ' A' ' 56' ' ' PHE . 31.9 m -102.8 177.94 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -145.31 157.3 44.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.497 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.6 mm? -89.19 133.62 34.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.526 HD21 ' HB2' ' A' ' 11' ' ' LYS . 36.6 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.804 0.335 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -87.06 146.68 26.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.406 ' SG ' HD13 ' A' ' 63' ' ' LEU . 64.4 m -144.42 118.65 9.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.854 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -84.29 129.62 34.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.422 HG21 ' HB ' ' A' ' 26' ' ' ILE . 87.6 t -83.11 107.2 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.798 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -94.09 -32.47 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.439 ' N ' HG12 ' A' ' 13' ' ' ILE . 80.1 m-85 -107.97 123.43 37.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.645 0.735 . . . . 0.0 110.878 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 138.38 37.65 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.303 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.567 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 76.9 t80 -141.2 154.07 45.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -121.05 116.52 25.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.4 102.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 20' ' ' ASN . 1.3 pt20 -54.87 -35.9 64.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.415 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 3.7 m120 -137.79 164.14 29.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -47.83 -41.78 24.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -50.02 -46.46 52.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.421 ' OE1' HG23 ' A' ' 55' ' ' VAL . 7.4 mm-40 -74.75 160.2 31.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 25' ' ' THR . 6.1 tp -111.85 150.56 30.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.465 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 21.6 m -90.86 130.94 36.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.186 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.422 ' HB ' HG21 ' A' ' 12' ' ' VAL . 40.0 pt -139.88 138.12 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -120.94 162.12 20.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.26 116.9 8.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.05 40.3 1.99 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.522 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -151.27 122.94 7.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.48 HD12 ' N ' ' A' ' 31' ' ' ILE . 4.5 mp -87.44 125.15 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.475 HG22 HD13 ' A' ' 49' ' ' LEU . 81.5 t -103.28 126.41 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.7 m -74.45 111.61 9.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.7 tp -60.91 107.19 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.623 HD11 ' HB2' ' A' ' 48' ' ' GLU . 47.6 mm -74.54 -61.7 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -140.35 149.01 42.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -74.03 164.43 26.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 22.7 t70 -94.06 162.45 13.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.577 ' O ' ' N ' ' A' ' 41' ' ' ASP . 4.6 t -51.99 162.95 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.461 ' C ' ' O ' ' A' ' 39' ' ' CYS . 49.3 mm -32.59 -31.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' A' ' 39' ' ' CYS . 79.8 m-20 -69.05 124.59 24.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -89.22 150.29 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.73 -13.98 9.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.673 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 76.4 m95 -126.43 151.14 48.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.756 0.312 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.68 ' CZ3' HD21 ' A' ' 63' ' ' LEU . 11.1 m0 -161.79 154.37 20.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -114.54 138.31 50.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.31 166.42 30.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.623 ' HB2' HD11 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -108.17 124.05 49.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.878 0.371 . . . . 0.0 110.918 -179.865 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.475 HD13 HG22 ' A' ' 32' ' ' VAL . 7.0 tp -141.55 111.64 6.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 66.4 40.2 3.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.13 45.5 91.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -141.13 131.75 25.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.4 mtp85 -110.54 105.97 15.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -150.48 161.26 28.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.421 HG23 ' OE1' ' A' ' 23' ' ' GLU . 27.4 m -81.61 161.43 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 111.132 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.458 ' HE1' HG21 ' A' ' 61' ' ' VAL . 8.7 p90 -160.78 152.27 16.17 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.621 0.724 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 117.6 5.18 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.587 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -54.26 -33.15 57.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -56.43 -33.56 65.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 15.9 m-85 -78.32 -2.02 36.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.458 HG21 ' HE1' ' A' ' 56' ' ' PHE . 27.2 m -138.68 176.23 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -144.96 148.8 34.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.68 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.2 mm? -84.57 111.93 19.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.7 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 179.867 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.813 ' CD2' HG21 ' A' ' 31' ' ' ILE . 3.2 m-85 -86.99 121.67 29.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 79.4 m -118.86 129.89 55.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -88.03 129.04 35.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.511 HG13 HD12 ' A' ' 26' ' ' ILE . 97.8 t -85.68 107.74 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.745 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -93.73 -33.55 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.403 ' N ' HG12 ' A' ' 13' ' ' ILE . 62.6 m-85 -106.23 122.07 43.39 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.728 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 124.36 11.02 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.637 2.225 . . . . 0.0 112.345 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.549 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 80.3 t80 -125.34 142.93 51.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -112.51 110.79 21.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.446 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -54.54 102.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -55.52 -43.4 75.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -126.57 172.93 9.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -53.04 -47.03 68.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.03 -55.29 4.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -66.15 156.66 33.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.446 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 4.6 tp -108.59 147.62 31.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.442 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 62.5 m -89.77 118.42 29.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.511 HD12 HG13 ' A' ' 12' ' ' VAL . 50.0 pt -126.07 140.66 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -114.63 158.24 22.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -64.34 123.83 20.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.38 41.35 4.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.456 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -141.59 133.14 26.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.813 HG21 ' CD2' ' A' ' 9' ' ' TYR . 3.9 mp -92.52 136.36 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.598 HG22 HD13 ' A' ' 49' ' ' LEU . 96.7 t -121.79 123.94 70.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.151 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.7 m -72.45 111.74 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.3 tp -59.22 106.4 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.593 HD11 ' HB2' ' A' ' 48' ' ' GLU . 45.7 mm -72.09 -62.1 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.142 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -141.41 140.05 33.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -65.73 165.28 12.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 44' ' ' TRP . 33.4 t70 -93.67 161.92 14.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.573 ' O ' ' N ' ' A' ' 41' ' ' ASP . 68.0 m -51.93 162.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.461 ' C ' ' O ' ' A' ' 39' ' ' CYS . 35.4 mm -32.3 -32.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 39' ' ' CYS . 71.4 m-20 -68.67 124.66 24.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.0 t -89.35 151.04 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.68 -15.9 9.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.665 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 58.8 m95 -126.15 155.73 41.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.733 0.301 . . . . 0.0 110.953 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.665 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.4 m0 -165.41 159.61 17.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -119.63 137.25 53.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.838 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.73 163.18 29.3 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.593 ' HB2' HD11 ' A' ' 35' ' ' ILE . 8.9 tt0 -103.67 130.24 51.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.926 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.598 HD13 HG22 ' A' ' 32' ' ' VAL . 6.3 tp -144.04 125.47 14.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 49' ' ' LEU . 9.9 p30 51.98 32.33 9.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.5 46.86 17.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -142.96 131.68 22.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -110.07 111.46 22.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.99 162.78 31.51 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.6 m -80.83 165.04 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.436 ' C ' ' CD1' ' A' ' 56' ' ' PHE . 4.5 p90 -167.11 152.82 7.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.669 0.747 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.448 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 53.4 Cg_endo -69.75 116.44 4.56 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.319 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.552 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.6 t0 -52.35 -33.93 45.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -58.41 -23.91 58.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.549 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 10.9 m-85 -86.84 2.04 50.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.503 HG12 HG22 ' A' ' 12' ' ' VAL . 35.1 m -141.62 172.53 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -136.65 152.24 50.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.91 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.588 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.9 mm? -90.96 106.13 18.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.0 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.907 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.807 0.337 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.671 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.8 m-85 -87.19 130.44 34.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.4 m -123.71 130.19 52.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.544 ' HB2' HD21 ' A' ' 64' ' ' LEU . 27.1 tttm -87.64 129.87 34.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.47 HG13 HD12 ' A' ' 26' ' ' ILE . 97.9 t -87.44 107.93 17.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.742 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -95.29 -31.81 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -108.4 121.87 42.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.668 0.747 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 135.39 30.36 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.245 . . . . 0.0 112.332 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.499 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 61.1 t80 -143.12 144.88 32.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -110.1 131.2 55.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.18 104.57 5.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 20' ' ' ASN . 21.3 pt20 -59.34 -38.11 79.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.453 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 24.5 m120 -127.34 173.35 9.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.55 -45.64 81.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -45.74 -60.28 2.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -60.41 155.14 18.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.449 ' HG ' ' N ' ' A' ' 25' ' ' THR . 6.1 tp -108.64 148.96 29.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.449 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 63.4 m -91.63 112.1 23.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.47 HD12 HG13 ' A' ' 12' ' ' VAL . 40.3 pt -119.11 137.23 53.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 27' ' ' LYS . 1.8 mppt? -113.8 161.06 18.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -64.63 120.26 12.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.99 44.76 4.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.46 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.1 m-20 -145.3 125.41 13.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.801 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.671 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.0 mp -90.21 132.55 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.853 HG22 ' HB2' ' A' ' 49' ' ' LEU . 60.1 t -117.08 127.05 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.14 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.5 m -70.53 115.9 10.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -59.48 117.59 5.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.8 HD11 ' HB2' ' A' ' 48' ' ' GLU . 20.6 mm -80.91 -55.37 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -152.51 145.46 24.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -68.76 165.14 20.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.437 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 33.2 t70 -97.08 161.54 13.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.579 ' O ' ' N ' ' A' ' 41' ' ' ASP . 3.5 m -51.98 163.25 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.716 ' H ' HD12 ' A' ' 40' ' ' ILE . 4.6 mp -32.55 -30.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' A' ' 39' ' ' CYS . 69.1 m-20 -69.39 124.51 24.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.1 t -89.47 151.84 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.18 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 57' ' ' PRO . . . 120.39 -13.26 10.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.676 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 72.7 m95 -125.98 154.12 43.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.78 0.324 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.676 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.4 m0 -165.95 152.1 9.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -114.56 119.67 37.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -132.7 159.41 23.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.8 ' HB2' HD11 ' A' ' 35' ' ' ILE . 5.4 tt0 -109.32 129.95 55.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.893 0.378 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.853 ' HB2' HG22 ' A' ' 32' ' ' VAL . 6.2 tp -144.09 124.72 14.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.1 m120 63.41 34.55 12.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.71 31.11 60.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -143.01 120.88 11.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.775 0.321 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -108.72 125.26 51.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.11 165.85 31.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.5 m -79.87 141.66 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.832 0.348 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.598 ' CE1' HG21 ' A' ' 61' ' ' VAL . 4.5 p90 -148.1 153.37 41.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.634 0.731 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 53.5 Cg_endo -69.79 106.76 1.72 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 61' ' ' VAL . 1.7 t0 -41.11 -53.04 3.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' ASP . 7.0 t-20 -37.38 -49.58 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.499 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 8.0 m-85 -55.94 -39.22 71.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.598 HG21 ' CE1' ' A' ' 56' ' ' PHE . 26.3 m -102.64 178.19 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -146.74 157.34 43.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.499 ' CD2' ' CZ3' ' A' ' 45' ' ' TRP . 3.5 mm? -89.12 126.96 35.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.544 HD21 ' HB2' ' A' ' 11' ' ' LYS . 57.5 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.823 0.344 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.448 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.7 m-85 -88.9 134.58 33.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.7 m -132.4 125.42 30.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.54 ' HB3' HD21 ' A' ' 64' ' ' LEU . 11.0 ttmm -87.36 133.01 33.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.628 HG22 HG12 ' A' ' 61' ' ' VAL . 84.3 t -87.51 118.99 34.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.765 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -106.39 -29.97 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -109.75 128.0 26.16 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 125.56 12.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.242 . . . . 0.0 112.335 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.588 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 10.3 t80 -127.7 144.23 51.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -115.1 117.55 30.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.16 104.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -63.98 -41.5 97.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.7 m-20 -118.61 136.4 53.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' ASN . 3.9 p-10 -34.37 -41.28 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -54.55 -54.78 36.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.561 ' CD ' ' CG2' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -52.83 176.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.897 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 25' ' ' THR . 3.3 tp -123.56 149.33 45.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.465 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 26.8 m -96.85 128.33 43.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.157 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.421 ' HB ' HG21 ' A' ' 12' ' ' VAL . 46.8 pt -131.49 152.44 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -131.97 161.97 31.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -59.87 126.21 26.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.86 45.53 5.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.448 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.589 ' O ' HG23 ' A' ' 12' ' ' VAL . 20.1 m-20 -146.8 111.49 5.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.77 0.319 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.448 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.5 mp -84.04 124.18 39.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.448 HG22 ' HB2' ' A' ' 49' ' ' LEU . 96.7 t -108.73 122.51 63.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.0 m -67.59 109.99 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tp -58.92 113.06 1.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.632 HD11 ' HB2' ' A' ' 48' ' ' GLU . 46.0 mm -80.18 -59.4 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -140.52 141.43 35.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -68.35 165.22 19.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 44' ' ' TRP . 15.2 t70 -97.51 161.62 13.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 41' ' ' ASP . 54.5 m -52.03 163.15 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.725 ' H ' HD12 ' A' ' 40' ' ' ILE . 4.7 mp -32.56 -30.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 39' ' ' CYS . 67.4 m-20 -69.27 124.52 24.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 43' ' ' GLY . 78.7 t -89.35 155.09 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.455 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 116.97 -13.86 14.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.662 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 67.7 m95 -126.07 153.8 43.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.704 0.288 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.672 ' CZ3' HD21 ' A' ' 63' ' ' LEU . 10.3 m0 -166.0 151.94 9.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -113.68 123.77 50.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -136.61 168.03 24.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.632 ' HB2' HD11 ' A' ' 35' ' ' ILE . 0.3 OUTLIER -109.74 123.45 49.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.903 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.448 ' HB2' HG22 ' A' ' 32' ' ' VAL . 61.2 tp -136.81 119.93 16.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 56.09 40.54 30.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.45 41.89 83.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 47.8 mtt85 -140.25 123.57 16.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.852 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -107.55 107.24 17.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -147.95 165.83 28.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.561 ' CG2' ' CD ' ' A' ' 23' ' ' GLU . 27.8 m -83.25 144.51 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.861 0.362 . . . . 0.0 111.162 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -143.87 153.25 57.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.691 0.758 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 53.8 Cg_endo -69.75 107.95 1.97 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.371 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.526 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 1.4 t0 -49.83 -48.48 50.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -43.53 -43.85 5.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.588 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 9.9 m-85 -60.4 -36.78 78.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.628 HG12 HG22 ' A' ' 12' ' ' VAL . 30.5 m -102.96 174.88 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -140.01 152.34 46.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.672 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.4 mm? -85.7 122.4 29.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 11' ' ' LYS . 54.6 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.801 0.334 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -89.14 153.44 20.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.4 m -147.32 130.97 16.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.55 ' CB ' HD21 ' A' ' 64' ' ' LEU . 38.7 tttp -91.35 129.13 37.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 30' ' ' ASP . 94.9 t -83.77 105.48 13.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.882 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -98.87 -30.25 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.419 ' N ' HG12 ' A' ' 13' ' ' ILE . 32.3 m-85 -107.59 131.46 21.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.646 0.736 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 134.51 28.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.652 2.235 . . . . 0.0 112.302 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.574 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 4.5 t80 -145.66 132.75 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -104.87 133.22 50.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.99 132.56 43.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -79.74 -45.68 18.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -133.01 173.1 11.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -44.86 -44.12 9.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.489 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 1.7 m-20 -53.43 -52.31 59.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.1 mp0 -66.75 146.86 54.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.557 HD11 ' HB3' ' A' ' 49' ' ' LEU . 5.4 tp -112.16 143.06 43.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.2 m -85.54 138.01 32.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.459 ' HB ' HG21 ' A' ' 12' ' ' VAL . 32.0 pt -147.07 134.01 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.11 163.46 16.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -63.19 113.64 3.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.402 ' O ' ' OD1' ' A' ' 30' ' ' ASP . . . 108.44 36.81 2.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.472 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.651 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -143.54 124.33 14.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.419 HD12 ' N ' ' A' ' 31' ' ' ILE . 4.2 mp -91.6 131.53 38.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.467 HG22 HD13 ' A' ' 49' ' ' LEU . 62.4 t -117.12 132.1 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.8 m -80.65 112.48 18.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.5 tp -59.97 111.14 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.673 HD11 ' HB2' ' A' ' 48' ' ' GLU . 49.2 mm -77.21 -60.75 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -136.34 146.45 46.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -76.86 165.19 25.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 21.3 t70 -98.82 161.78 13.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 41' ' ' ASP . 17.6 m -52.05 163.03 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 39' ' ' CYS . 41.4 mm -32.97 -30.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -69.32 124.7 24.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.859 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 43' ' ' GLY . 71.5 t -88.83 154.44 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.088 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.44 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 118.32 -15.79 11.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.671 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 74.2 m95 -124.46 146.41 48.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.671 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.9 m0 -162.75 152.76 16.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -114.51 136.58 52.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.3 167.38 28.49 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.673 ' HB2' HD11 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -108.16 127.62 53.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.917 -179.865 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.557 ' HB3' HD11 ' A' ' 24' ' ' LEU . 7.0 tp -144.08 124.01 13.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 54.69 43.79 29.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.04 42.02 99.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.433 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -140.91 131.5 25.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -111.74 110.5 20.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 22' ' ' ASP . . . -151.61 163.27 29.92 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.2 m -81.25 158.6 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 111.09 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.43 ' CE1' HG21 ' A' ' 61' ' ' VAL . 5.4 p90 -157.37 152.88 22.19 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.643 0.735 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.491 ' HG3' ' CD2' ' A' ' 16' ' ' TYR . 53.6 Cg_endo -69.76 110.91 2.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.303 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.553 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 1.9 t0 -50.72 -49.45 57.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -42.18 -42.79 3.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 9.4 m-85 -62.53 -36.54 82.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.43 HG21 ' CE1' ' A' ' 56' ' ' PHE . 34.4 m -103.82 177.85 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -142.8 157.45 44.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.633 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.5 mm? -89.32 121.55 31.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.55 HD21 ' CB ' ' A' ' 11' ' ' LYS . 63.4 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.82 0.343 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -87.47 126.02 34.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.971 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.6 m -124.91 128.55 48.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.4 tttp -85.18 132.09 34.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.489 HG13 HD12 ' A' ' 26' ' ' ILE . 95.5 t -88.89 108.19 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.747 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -100.73 -27.81 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -110.78 129.74 23.64 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.633 0.73 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 139.72 41.06 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.556 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 87.6 t80 -143.04 118.18 10.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -94.55 110.16 22.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.462 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -58.91 131.69 51.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -90.57 -41.3 11.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -114.01 167.7 10.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -53.31 -45.53 69.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -53.4 -51.28 63.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.462 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 26.6 mt-10 -59.59 140.54 56.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.6 tp -101.04 144.59 29.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.9 m -92.68 111.99 23.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.489 HD12 HG13 ' A' ' 12' ' ' VAL . 34.8 pt -123.68 141.94 42.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -121.4 156.35 32.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -59.73 112.88 1.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.84 40.33 1.1 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.468 ' O ' HG23 ' A' ' 12' ' ' VAL . 5.0 m-20 -153.98 134.44 13.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.474 HD12 ' N ' ' A' ' 31' ' ' ILE . 3.3 mp -94.75 141.2 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.149 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.1 t -123.23 128.45 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.1 m -75.08 113.55 12.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -61.87 107.41 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.453 HG21 ' HD2' ' A' ' 53' ' ' ARG . 23.7 mm -73.17 -58.72 4.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -148.06 149.24 31.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -69.65 165.19 21.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.417 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 33.9 t70 -91.74 162.2 14.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.577 ' O ' ' N ' ' A' ' 41' ' ' ASP . 63.0 m -51.98 162.86 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 39' ' ' CYS . 22.0 mt -32.03 -32.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' A' ' 39' ' ' CYS . 9.6 m-20 -69.17 124.48 23.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.3 t -88.57 150.65 3.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.59 -14.06 9.29 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.451 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.669 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 69.6 m95 -126.33 158.25 36.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.771 0.319 . . . . 0.0 110.914 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.669 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.5 m0 -164.1 153.41 13.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -112.87 130.02 56.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.93 160.4 27.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.521 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -108.2 120.68 43.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.916 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.9 tp -128.89 111.0 12.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 66.78 32.38 6.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.84 -23.17 18.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -84.42 121.14 27.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 53' ' ' ARG . 6.2 ttp-105 -106.71 123.92 48.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.16 164.82 32.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.5 m -79.47 159.9 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 111.09 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.421 ' C ' ' CD1' ' A' ' 56' ' ' PHE . 3.8 p90 -163.5 152.48 12.15 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.669 0.747 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.465 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 53.5 Cg_endo -69.78 119.6 6.52 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.336 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -54.64 -43.43 72.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.489 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 17.2 t-20 -48.29 -36.73 14.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.556 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 10.5 m-85 -67.18 -38.52 85.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' A' ' 58' ' ' ASP . 17.9 m -103.45 179.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -144.28 154.92 43.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.543 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.7 mm? -90.22 125.16 35.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.4 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.865 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 t70 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.404 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.7 m-85 -86.92 129.2 34.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.536 ' SG ' HD13 ' A' ' 63' ' ' LEU . 66.8 m -127.7 127.62 44.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -84.11 129.85 34.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 30' ' ' ASP . 76.7 t -87.41 106.84 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.116 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.816 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.56 -30.64 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.412 ' N ' HG12 ' A' ' 13' ' ' ILE . 20.9 m-85 -106.88 121.7 44.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.645 0.736 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 133.4 25.47 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.374 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -126.48 157.28 39.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.957 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -127.12 107.28 9.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.65 115.3 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 20' ' ' ASN . 1.9 pt20 -72.42 -34.45 67.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.465 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 5.1 m120 -134.61 166.79 22.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -47.92 -55.55 9.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -40.29 -45.34 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -72.58 149.43 44.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 tp -107.58 140.36 40.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.4 m -92.76 137.08 32.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.718 HG22 HD22 ' A' ' 49' ' ' LEU . 25.1 pt -143.19 151.14 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.65 161.84 19.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -69.87 111.07 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.93 39.42 1.07 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.624 ' O ' HG23 ' A' ' 12' ' ' VAL . 14.3 m-20 -149.03 132.86 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.761 0.315 . . . . 0.0 110.847 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.404 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.8 mp -94.76 131.08 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.582 HG22 HD13 ' A' ' 49' ' ' LEU . 99.2 t -110.31 128.3 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.3 m -75.75 112.03 11.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.3 tp -58.49 107.49 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.813 HD11 ' HB2' ' A' ' 48' ' ' GLU . 48.0 mm -73.16 -59.23 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -144.56 144.71 31.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -70.12 165.19 22.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 44' ' ' TRP . 23.6 t70 -95.23 161.9 13.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.598 ' O ' ' N ' ' A' ' 41' ' ' ASP . 23.4 m -52.09 163.57 0.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 39' ' ' CYS . 60.1 mt -32.52 -30.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.598 ' N ' ' O ' ' A' ' 39' ' ' CYS . 3.7 m-20 -69.17 124.5 23.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.832 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 43' ' ' GLY . 61.1 t -90.6 152.24 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.4 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 120.81 -15.41 9.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.661 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 62.8 m95 -126.21 155.87 41.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.74 0.305 . . . . 0.0 110.944 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.661 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.1 m0 -164.16 153.57 13.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -113.77 128.2 56.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.49 164.14 26.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.813 ' HB2' HD11 ' A' ' 35' ' ' ILE . 11.7 tt0 -106.89 127.96 53.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.87 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.718 HD22 HG22 ' A' ' 26' ' ' ILE . 26.8 tp -144.1 116.76 8.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 58.99 39.57 23.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.58 48.32 57.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.474 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -142.99 127.6 18.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.89 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -109.77 107.61 17.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.3 165.1 30.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.4 m -83.15 165.56 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.439 ' C ' ' CD1' ' A' ' 56' ' ' PHE . 4.4 p90 -167.24 153.23 7.52 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.686 0.755 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 116.05 4.37 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.389 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.587 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -53.46 -45.81 69.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.492 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 5.2 p-10 -44.85 -39.91 5.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -63.35 -38.52 91.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' A' ' 58' ' ' ASP . 19.3 m -103.56 177.26 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -142.47 151.02 41.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.558 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.2 mm? -88.17 128.62 35.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.923 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.8 t0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.775 0.321 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.557 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.7 m-85 -89.62 131.24 35.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.7 m -126.65 126.43 43.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.432 ' CB ' HD21 ' A' ' 64' ' ' LEU . 61.0 tttt -84.25 131.68 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.66 HG22 HG12 ' A' ' 61' ' ' VAL . 57.5 t -89.74 117.03 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.162 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.424 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -102.56 -30.84 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.488 ' HB3' ' CD2' ' A' ' 60' ' ' PHE . 8.1 m-85 -107.41 125.05 33.27 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.662 0.744 . . . . 0.0 110.828 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 134.54 28.2 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.386 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.437 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 78.0 t80 -143.45 138.55 29.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -110.25 123.59 50.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.29 125.46 25.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.461 ' HG3' ' N ' ' A' ' 20' ' ' ASN . 7.5 pt20 -81.22 -38.93 26.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.461 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 41.2 m-80 -120.81 167.47 12.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -54.55 -44.89 73.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.431 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 21.5 t0 -52.31 -47.89 65.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -67.6 145.24 55.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.514 HD11 ' HB3' ' A' ' 49' ' ' LEU . 6.1 tp -102.22 140.04 37.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.7 m -88.5 118.31 28.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.68 HG22 HD22 ' A' ' 49' ' ' LEU . 38.1 pt -122.29 136.34 59.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -115.43 168.11 10.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -72.57 107.3 5.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.35 36.16 1.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -142.79 139.03 30.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.809 0.337 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.557 HG21 ' CD2' ' A' ' 9' ' ' TYR . 3.4 mp -102.83 125.85 57.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.703 HG22 HD13 ' A' ' 49' ' ' LEU . 99.0 t -98.51 151.26 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.4 m -102.55 108.68 20.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 tp -57.61 104.35 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.4 mt -83.62 -55.75 6.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -134.63 138.63 44.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -73.96 165.3 25.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.423 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 13.6 t70 -102.12 161.51 13.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.586 ' O ' ' N ' ' A' ' 41' ' ' ASP . 2.7 m -52.05 163.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 39' ' ' CYS . 23.8 mt -33.28 -29.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 39' ' ' CYS . 17.5 m-20 -69.17 124.53 24.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 43' ' ' GLY . 82.6 t -89.32 153.69 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.426 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 118.4 -13.3 12.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.52 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.667 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 76.2 m95 -126.12 149.77 48.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.735 0.302 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.667 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 9.9 m0 -166.4 159.59 14.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -117.77 136.99 53.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.471 ' HA3' ' CG1' ' A' ' 32' ' ' VAL . . . -153.94 173.05 32.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.519 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -110.01 128.41 55.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.379 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.703 HD13 HG22 ' A' ' 32' ' ' VAL . 12.2 tp -144.09 116.51 8.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 m120 62.24 42.06 9.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.94 43.62 97.21 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -141.37 130.08 22.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.323 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -108.46 106.22 16.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.431 ' CA ' ' O ' ' A' ' 22' ' ' ASP . . . -153.22 166.11 31.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 36.0 m -79.16 158.91 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.36 . . . . 0.0 111.187 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.434 ' C ' ' CD1' ' A' ' 56' ' ' PHE . 6.2 p90 -155.83 152.84 24.82 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.659 0.742 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.418 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 54.2 Cg_endo -69.74 106.88 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.682 2.255 . . . . 0.0 112.351 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.472 ' CG ' ' CZ3' ' A' ' 45' ' ' TRP . 4.0 t0 -48.18 -48.78 34.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -43.3 -46.18 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.488 ' CD2' ' HB3' ' A' ' 14' ' ' PHE . 10.3 m-85 -57.55 -37.76 73.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.66 HG12 HG22 ' A' ' 12' ' ' VAL . 30.2 m -103.36 177.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -142.48 158.8 43.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.415 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 2.9 mm? -89.41 122.16 32.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.432 HD21 ' CB ' ' A' ' 11' ' ' LYS . 60.6 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.967 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.828 0.346 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.425 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.8 m-85 -87.02 128.07 35.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.4 m -125.26 127.27 46.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.574 ' CB ' HD21 ' A' ' 64' ' ' LEU . 34.2 tttp -86.88 129.57 34.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.555 HG22 HG12 ' A' ' 61' ' ' VAL . 97.8 t -85.12 112.33 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.475 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -103.26 -26.85 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -112.35 122.88 35.44 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.645 0.736 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 136.18 32.36 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.564 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 80.3 t80 -138.62 139.37 38.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -107.44 111.72 24.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.47 136.98 57.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.116 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -84.85 -47.92 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -130.98 170.66 14.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -44.92 -42.64 8.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -50.34 -47.97 55.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -76.28 147.76 38.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.479 ' HG ' ' N ' ' A' ' 25' ' ' THR . 6.9 tp -104.85 150.85 24.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.479 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 19.8 m -96.6 128.15 43.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.0 pt -137.09 140.83 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -116.49 169.2 9.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -73.27 116.5 13.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.49 40.86 2.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.422 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.7 m-20 -148.23 132.86 17.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.328 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.425 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.3 mp -96.96 132.59 41.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.756 HG22 HD13 ' A' ' 49' ' ' LEU . 93.0 t -116.58 126.86 74.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.8 m -71.07 127.02 31.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tp -72.99 111.61 8.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.442 HD11 ' HB2' ' A' ' 48' ' ' GLU . 41.7 mm -78.1 -61.55 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -136.88 146.52 45.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -74.73 165.31 25.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 29.2 t70 -99.57 162.76 12.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 41' ' ' ASP . 2.4 m -51.93 162.76 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' CYS . 49.9 mm -34.29 -28.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.567 ' N ' ' O ' ' A' ' 39' ' ' CYS . 80.8 m-20 -68.87 124.78 24.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.0 t -88.71 146.62 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.33 -11.39 9.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.522 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.667 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 86.9 m95 -126.6 146.68 50.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.667 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.8 m0 -163.0 154.81 17.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -117.36 133.04 56.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.0 171.55 26.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.442 ' HB2' HD11 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -110.4 127.32 55.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.89 -179.902 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.756 HD13 HG22 ' A' ' 32' ' ' VAL . 34.1 tp -141.56 114.34 8.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 62.25 41.13 10.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.93 41.78 95.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.467 ' HA ' ' CZ ' ' A' ' 52' ' ' ARG . 1.5 mmp_? -137.44 130.7 30.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.777 0.322 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.0 mtm-85 -109.65 110.93 22.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.13 162.86 31.62 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.0 m -79.38 165.58 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 56' ' ' PHE . 4.9 p90 -165.99 153.16 9.1 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.676 0.75 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 111.97 2.96 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.707 2.271 . . . . 0.0 112.345 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.555 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.7 t0 -50.05 -46.62 53.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.832 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -45.74 -43.09 12.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.564 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 5.7 m-85 -59.92 -37.43 79.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.555 HG12 HG22 ' A' ' 12' ' ' VAL . 18.1 m -103.34 174.99 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.9 ttmm -138.65 153.36 48.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.944 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.638 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.1 mm? -89.01 106.77 18.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.574 HD21 ' CB ' ' A' ' 11' ' ' LYS . 15.1 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.4 t0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.82 0.343 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.617 ' CD2' HG21 ' A' ' 31' ' ' ILE . 3.4 m-85 -88.17 125.15 34.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.8 m -121.29 126.64 50.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -83.92 129.1 34.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.472 HG21 ' HB ' ' A' ' 26' ' ' ILE . 94.0 t -87.38 107.77 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.167 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.799 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.97 -32.24 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.427 ' N ' HG12 ' A' ' 13' ' ' ILE . 49.1 m-85 -103.76 124.75 36.75 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.659 0.743 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 128.54 16.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.493 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 72.2 t80 -130.04 153.58 48.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -121.86 115.03 21.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.49 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -56.74 137.66 54.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.447 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 27.5 tp60 -78.52 -45.56 21.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -144.87 175.35 10.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -40.57 -37.85 0.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.85 -46.22 90.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.447 ' CD ' ' HB3' ' A' ' 19' ' ' GLN . 33.5 mt-10 -74.23 144.14 44.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.532 HD11 ' HB3' ' A' ' 49' ' ' LEU . 5.8 tp -104.46 150.4 24.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.472 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 90.8 m -97.77 136.32 38.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.472 ' HB ' HG21 ' A' ' 12' ' ' VAL . 22.7 pt -142.79 134.09 24.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.471 ' HD3' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -116.32 153.12 32.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -57.77 109.83 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.72 40.27 0.86 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.409 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.5 m-20 -154.12 136.31 14.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.617 HG21 ' CD2' ' A' ' 9' ' ' TYR . 3.8 mp -98.4 137.17 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.171 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.429 HG22 HD13 ' A' ' 49' ' ' LEU . 49.5 t -119.93 122.04 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.3 m -70.67 114.71 9.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' A' ' 45' ' ' TRP . 8.0 tp -62.52 110.23 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.3 mm -76.65 -58.55 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -137.59 143.96 41.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.8 mttp -74.75 164.7 26.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.431 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 11.7 t70 -98.95 161.57 13.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.581 ' O ' ' N ' ' A' ' 41' ' ' ASP . 95.4 m -52.02 163.15 0.38 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 39' ' ' CYS . 28.0 mt -33.05 -30.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 39' ' ' CYS . 1.8 m-20 -69.27 124.5 24.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 43' ' ' GLY . 66.4 t -89.39 153.19 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.413 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 120.0 -15.85 10.21 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.67 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 76.1 m95 -123.57 150.93 43.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.745 0.307 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.67 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.2 m0 -166.53 152.57 8.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -116.01 132.67 56.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.07 169.04 26.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -108.21 125.32 51.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.899 0.381 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.532 ' HB3' HD11 ' A' ' 24' ' ' LEU . 15.3 tp -136.87 120.21 16.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 52.81 41.1 31.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.8 42.2 80.06 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -136.64 126.99 26.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.331 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.1 mtm-85 -109.46 107.75 18.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.89 160.66 29.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.467 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.9 m -79.59 152.04 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 111.135 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -151.28 152.87 31.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.412 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 53.8 Cg_endo -69.75 112.75 3.16 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.553 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 1.3 t0 -52.33 -49.53 64.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -42.04 -40.36 2.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.493 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 7.4 m-85 -65.09 -36.89 85.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.483 HG22 ' HA ' ' A' ' 58' ' ' ASP . 13.2 m -102.85 174.39 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.096 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -139.98 155.81 46.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.574 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.7 mm? -89.29 121.04 31.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.5 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.919 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.504 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.9 m-85 -87.66 142.29 27.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.7 m -139.11 126.21 21.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -87.82 130.48 34.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 30' ' ' ASP . 76.5 t -82.44 111.7 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.547 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.81 -28.23 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.434 ' N ' HG12 ' A' ' 13' ' ' ILE . 11.2 m-85 -111.67 126.68 28.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 120.54 7.31 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.325 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.559 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 76.5 t80 -122.91 142.91 50.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -116.47 114.98 24.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.27 134.4 53.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -88.09 -39.89 14.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -129.43 156.28 44.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -39.65 -37.53 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.85 -50.35 70.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -67.66 153.96 42.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.449 ' HG ' ' N ' ' A' ' 25' ' ' THR . 7.7 tp -108.57 150.57 27.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.561 ' O ' HD23 ' A' ' 49' ' ' LEU . 99.2 m -92.73 130.19 38.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.62 HG22 HD22 ' A' ' 49' ' ' LEU . 40.3 pt -139.7 140.7 36.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.55 149.18 47.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -54.67 114.65 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.32 39.4 1.24 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.526 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.9 m-20 -153.59 130.9 11.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.83 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.504 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.5 mp -94.43 125.61 47.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.756 HG22 HD13 ' A' ' 49' ' ' LEU . 84.8 t -106.21 126.7 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.6 m -74.42 118.13 17.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.6 tp -66.99 112.77 4.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.4 mm -79.43 -60.73 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -137.54 146.8 44.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -74.87 165.87 24.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 14.3 t70 -98.2 162.2 13.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.545 ' O ' ' N ' ' A' ' 41' ' ' ASP . 79.8 m -51.93 162.8 0.4 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.473 ' C ' ' O ' ' A' ' 39' ' ' CYS . 72.5 mt -32.07 -33.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.545 ' N ' ' O ' ' A' ' 39' ' ' CYS . 37.5 m-20 -68.19 124.66 24.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 43' ' ' GLY . 78.4 t -88.17 154.7 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.44 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 119.21 -18.75 10.22 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.664 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 75.8 m95 -120.95 146.56 46.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.706 0.288 . . . . 0.0 110.943 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.664 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 11.2 m0 -161.64 152.12 17.55 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -114.51 137.65 51.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -153.16 163.85 30.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -100.71 129.33 46.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.861 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.756 HD13 HG22 ' A' ' 32' ' ' VAL . 29.0 tp -143.75 114.7 7.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.6 m120 62.13 42.62 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.63 38.03 95.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.537 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.0 mtp85 -136.2 131.18 34.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.775 0.322 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -110.12 110.62 21.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.48 166.11 32.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.505 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.2 m -83.25 163.47 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 111.157 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 56' ' ' PHE . 8.3 p90 -164.44 152.92 11.09 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.665 0.745 . . . . 0.0 110.837 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 53.5 Cg_endo -69.82 118.47 5.7 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.628 2.219 . . . . 0.0 112.339 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.556 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 1.7 t0 -57.2 -32.81 66.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -57.11 -33.11 67.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.559 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 16.7 m-85 -78.34 -1.9 35.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.446 HG22 ' HA ' ' A' ' 58' ' ' ASP . 33.1 m -139.01 174.81 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -144.01 154.38 43.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.612 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.3 mm? -87.77 114.73 24.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.4 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -95.4 136.13 36.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.388 . . . . 0.0 110.839 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -91.77 -50.2 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.69 164.44 32.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.452 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 t -101.03 128.23 47.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -72.44 -56.89 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.99 -153.17 8.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -145.82 118.26 8.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -87.02 138.86 31.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.9 m -133.52 128.51 35.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.547 ' CB ' HD21 ' A' ' 64' ' ' LEU . 52.1 tttm -87.78 129.06 35.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 27' ' ' LYS . 82.4 t -85.68 119.95 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.802 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -113.07 -24.62 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.846 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -112.82 125.99 29.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.664 0.745 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 132.39 23.37 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.677 2.251 . . . . 0.0 112.413 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.492 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 59.3 t80 -129.7 157.73 41.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.963 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -130.18 105.06 7.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.496 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -58.19 123.72 16.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.079 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -76.03 -43.96 41.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -124.35 166.3 16.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -44.83 -47.25 11.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.461 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 15.6 m-20 -47.08 -49.02 22.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.496 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 19.7 mt-10 -72.16 142.8 49.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.9 tp -103.21 143.29 32.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.7 m -90.8 117.37 29.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.1 pt -125.11 145.65 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.496 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 22.0 mmtp -116.43 167.73 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -75.61 118.61 18.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.08 34.02 3.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -143.39 144.31 32.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.573 HD12 ' N ' ' A' ' 31' ' ' ILE . 3.3 mp -102.74 136.9 32.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.691 HG22 HD13 ' A' ' 49' ' ' LEU . 96.0 t -121.01 126.54 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.3 m -74.35 115.98 14.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.5 tp -65.09 113.72 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.6 mm -79.19 -59.88 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -137.95 143.84 40.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -74.59 165.34 25.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 10.5 t0 -98.42 161.54 13.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.572 ' O ' ' N ' ' A' ' 41' ' ' ASP . 17.6 m -51.98 163.03 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.744 ' H ' HD12 ' A' ' 40' ' ' ILE . 4.4 mp -32.73 -31.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.572 ' N ' ' O ' ' A' ' 39' ' ' CYS . 40.3 m-20 -69.32 124.56 24.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 43' ' ' GLY . 60.8 t -88.82 153.82 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.426 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 119.4 -16.84 10.53 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.473 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.66 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 70.5 m95 -124.29 145.38 49.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.768 0.318 . . . . 0.0 110.93 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.66 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 11.2 m0 -161.16 154.83 22.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -116.72 133.44 56.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.69 170.13 27.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -109.78 126.33 53.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.895 0.378 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.691 HD13 HG22 ' A' ' 32' ' ' VAL . 26.7 tp -143.98 126.53 15.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 56.69 42.52 26.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.99 50.01 72.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -142.51 160.96 39.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -135.98 108.36 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.461 ' CA ' ' O ' ' A' ' 22' ' ' ASP . . . -155.9 165.9 32.79 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.1 m -83.06 162.98 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -161.41 153.1 16.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.633 0.73 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 54.4 Cg_endo -69.7 107.98 1.97 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.38 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.543 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.2 t0 -46.96 -47.79 21.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.835 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -44.12 -46.93 8.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.492 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 6.7 m-85 -56.04 -38.39 70.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.0 m -103.07 177.55 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -143.1 156.45 44.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.543 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.9 mm? -90.67 126.59 36.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.547 HD21 ' CB ' ' A' ' 11' ' ' LYS . 29.4 mt -85.52 129.88 34.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.6 m -76.08 -50.97 13.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.84 146.07 5.27 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 122.69 9.38 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.691 2.261 . . . . 0.0 112.361 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.0 t -96.37 -50.28 4.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.9 p -122.9 169.58 10.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.5 p -42.27 -45.42 4.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.844 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 t -119.52 148.22 43.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.88 39.82 0.77 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m 62.95 42.46 7.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.4 t -46.96 -46.73 21.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.68 166.06 12.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.524 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.12 107.74 1.64 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.846 0.355 . . . . 0.0 110.847 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.468 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.8 m-85 -88.03 139.04 30.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.404 ' SG ' HD13 ' A' ' 63' ' ' LEU . 60.3 m -136.45 123.08 21.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -85.21 129.96 34.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 30' ' ' ASP . 88.2 t -80.31 114.31 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.416 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -99.21 -30.93 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -113.49 131.62 22.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 133.52 25.84 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.456 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 51.8 t80 -130.43 137.05 49.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.936 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.35 105.35 13.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -54.73 123.11 12.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -77.57 -43.44 31.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -125.62 159.44 32.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.57 -52.62 2.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -41.45 -52.01 3.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.424 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 1.7 mp0 -65.01 152.22 43.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.5 tp -111.64 135.53 52.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.2 m -82.54 130.33 35.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.55 HG22 HD22 ' A' ' 49' ' ' LEU . 42.9 pt -140.11 137.65 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -110.69 164.13 13.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -68.89 110.77 4.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.47 38.17 1.37 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.455 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.3 m-20 -145.04 127.97 16.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.742 0.306 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.468 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.4 mp -90.43 136.76 23.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.454 HG22 HD13 ' A' ' 49' ' ' LEU . 90.0 t -119.67 124.1 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.6 m -72.56 113.06 9.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.175 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 tp -58.5 106.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.824 HD11 ' HB2' ' A' ' 48' ' ' GLU . 42.2 mm -73.82 -59.45 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -142.68 146.02 33.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -73.45 165.06 25.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 44' ' ' TRP . 18.9 t70 -95.71 161.56 13.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.59 ' O ' ' N ' ' A' ' 41' ' ' ASP . 36.2 m -52.01 163.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.712 ' H ' HD12 ' A' ' 40' ' ' ILE . 4.6 mp -32.67 -30.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -69.24 124.42 23.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.853 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.6 t -90.16 151.62 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.29 -15.09 9.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.447 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.669 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 69.3 m95 -125.89 153.23 44.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.314 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.669 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.4 m0 -164.1 155.39 15.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.955 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -116.03 139.19 50.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.3 163.51 29.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.824 ' HB2' HD11 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -105.77 121.7 44.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.92 0.391 . . . . 0.0 110.887 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.55 HD22 HG22 ' A' ' 26' ' ' ILE . 43.5 tp -135.33 116.33 14.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.4 m120 56.56 41.28 28.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.3 44.63 74.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -138.99 125.51 20.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 -107.79 107.47 18.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.53 165.93 31.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.525 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.8 m -85.51 158.87 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 111.137 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.419 ' C ' ' CD1' ' A' ' 56' ' ' PHE . 4.3 p90 -158.07 151.76 19.39 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.71 0.767 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.495 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 53.6 Cg_endo -69.73 117.89 5.35 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.664 2.242 . . . . 0.0 112.383 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.585 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -54.49 -24.77 21.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -65.37 -31.81 73.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.495 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 13.7 m-85 -80.24 -3.18 48.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.423 HG12 HG22 ' A' ' 12' ' ' VAL . 34.4 m -136.83 175.73 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -145.83 150.02 35.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.562 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.1 mm? -86.18 121.56 28.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.6 mt -89.22 166.81 13.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.7 t -104.18 116.63 32.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.38 -96.79 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 116.03 4.37 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.665 2.244 . . . . 0.0 112.36 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.0 m -84.43 137.42 33.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.6 t -56.91 -58.0 10.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -102.43 103.15 13.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.6 p -58.09 141.82 48.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.46 -106.89 0.68 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.525 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -79.65 -43.52 22.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.87 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -62.53 139.07 58.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.67 154.88 7.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.467 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.06 109.23 17.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -88.58 150.32 23.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.935 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.0 m -144.68 120.34 10.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -85.57 129.68 34.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 30' ' ' ASP . 90.2 t -82.74 115.38 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.463 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -102.01 -28.19 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -111.13 131.26 22.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.646 0.736 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 131.93 22.26 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.718 2.278 . . . . 0.0 112.322 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.567 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 78.8 t80 -148.18 121.0 8.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.605 ' HA ' HG23 ' A' ' 25' ' ' THR . 8.0 pt-20 -97.2 126.59 42.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.526 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -58.21 130.1 45.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.478 ' HG3' ' N ' ' A' ' 20' ' ' ASN . 21.9 pt20 -76.38 -40.47 50.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.478 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 35.8 m120 -135.4 163.02 30.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -38.48 -51.22 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.466 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 35.0 t0 -45.31 -57.16 4.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.475 ' OE1' ' CG ' ' A' ' 19' ' ' GLN . 3.4 mp0 -58.74 167.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.526 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 3.5 tp -123.54 129.29 50.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.605 HG23 ' HA ' ' A' ' 17' ' ' GLU . 1.2 m -78.03 116.41 18.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 29.9 pt -123.53 143.3 37.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -116.24 162.39 17.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -70.86 115.78 10.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.8 40.52 2.14 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 12' ' ' VAL . 16.4 m-20 -148.13 133.15 18.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.43 HD12 ' N ' ' A' ' 31' ' ' ILE . 4.2 mp -88.24 147.64 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.3 t -130.4 120.97 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 84.9 m -70.3 108.88 4.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.1 tp -58.32 105.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.7 mm -70.68 -63.01 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -141.57 139.98 33.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -65.98 165.32 13.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 44' ' ' TRP . 20.5 t70 -94.16 161.89 14.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.585 ' O ' ' N ' ' A' ' 41' ' ' ASP . 99.8 m -52.03 163.27 0.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.9 OUTLIER -32.05 -31.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.585 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -69.23 124.6 24.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.476 HG12 ' N ' ' A' ' 43' ' ' GLY . 75.2 t -89.39 156.03 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.476 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 116.7 -16.07 14.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.547 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.662 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 66.8 m95 -125.77 151.0 47.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.782 0.325 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.662 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.9 m0 -161.71 154.25 20.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -114.35 140.91 48.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.98 170.46 31.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.442 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -113.72 123.85 50.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.438 ' HB3' HD11 ' A' ' 24' ' ' LEU . 26.7 tp -144.07 118.6 9.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.3 m120 62.3 41.06 10.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.38 45.81 94.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -143.0 131.18 21.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.835 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -112.92 105.76 13.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.466 ' CA ' ' O ' ' A' ' 22' ' ' ASP . . . -149.44 166.08 29.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.7 m -82.9 161.18 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.416 ' HE1' HG21 ' A' ' 61' ' ' VAL . 10.5 p90 -161.66 152.02 14.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.611 0.719 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.509 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 54.2 Cg_endo -69.76 119.38 6.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -56.06 -24.27 38.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -65.24 -29.01 69.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 32.1 m-85 -84.05 -1.07 54.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' A' ' 58' ' ' ASP . 21.4 m -137.62 175.55 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -145.53 149.78 35.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.578 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.1 mm? -86.82 114.53 23.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.4 mt -79.78 175.56 10.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.3 t -69.09 -53.12 21.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.77 66.05 1.33 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -175.17 1.07 Allowed 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.72 2.28 . . . . 0.0 112.375 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.0 m -88.32 -61.76 1.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.2 m -71.79 120.64 17.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.816 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.449 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.9 m -56.51 -47.25 79.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.805 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 p 52.12 40.08 27.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.799 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.51 90.75 1.3 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.468 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -61.48 163.15 7.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.873 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.0 t -83.96 -53.45 5.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.3 -149.83 26.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -116.1 149.24 39.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.706 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.8 m-85 -91.0 127.54 36.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.4 m -125.25 122.26 36.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -84.67 129.6 34.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 30' ' ' ASP . 70.4 t -83.85 114.27 24.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.136 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.758 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -98.42 -32.22 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -112.13 127.47 26.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.677 0.751 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 131.38 21.04 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.566 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 66.1 t80 -127.49 155.65 43.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -124.21 113.4 18.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.39 106.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -67.12 -40.4 86.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -119.49 176.15 5.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -58.57 -55.0 40.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.424 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 12.4 m-20 -47.52 -45.84 26.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -58.0 148.95 24.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.5 tp -110.43 144.5 39.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.5 m -89.92 121.54 32.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.9 pt -129.62 151.75 36.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -130.46 154.15 48.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -59.7 110.05 1.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.14 41.66 0.81 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.476 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.478 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.3 m-20 -153.34 123.52 7.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.781 0.324 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.706 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.0 mp -85.88 124.67 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.948 HG22 HD13 ' A' ' 49' ' ' LEU . 69.7 t -106.44 125.5 62.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.4 m -75.98 115.21 15.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.9 tp -60.15 113.36 2.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.819 HD11 ' HB2' ' A' ' 48' ' ' GLU . 36.5 mm -81.36 -59.73 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -138.2 135.95 36.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -67.34 165.16 16.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.433 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 27.5 t70 -99.37 161.55 13.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 41' ' ' ASP . 68.1 m -52.01 162.99 0.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.46 ' C ' ' O ' ' A' ' 39' ' ' CYS . 46.1 mm -33.08 -30.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 39' ' ' CYS . 73.7 m-20 -69.24 124.58 24.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -88.97 150.0 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 57' ' ' PRO . . . 121.94 -12.85 9.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.478 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.674 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 77.1 m95 -126.17 148.8 49.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.727 0.299 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.674 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.3 m0 -165.24 152.49 10.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' HG3' ' C ' ' A' ' 54' ' ' GLY . 10.4 tt0 -117.95 128.02 54.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.39 172.86 21.97 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.819 ' HB2' HD11 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -112.3 123.2 49.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.859 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.948 HD13 HG22 ' A' ' 32' ' ' VAL . 7.4 tp -142.28 127.22 18.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 m120 54.49 41.65 31.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.83 46.34 94.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -141.91 137.65 31.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -114.88 111.48 21.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.435 ' C ' ' HG3' ' A' ' 46' ' ' GLU . . . -154.93 164.94 32.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.4 m -84.02 163.04 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 111.124 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -162.59 153.34 14.4 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.669 0.747 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 53.9 Cg_endo -69.77 110.21 2.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.34 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.552 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 1.6 t0 -48.49 -34.23 10.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -56.04 -34.63 66.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.566 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 8.8 m-85 -76.46 -0.07 21.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.9 m -140.58 173.65 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -144.22 151.97 40.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.525 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.1 mm? -86.29 111.66 20.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 23.0 mt -74.53 155.19 38.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.1 t -147.57 117.57 7.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -146.35 -148.74 4.84 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 120.35 7.14 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.684 2.256 . . . . 0.0 112.302 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 69' ' ' SER . 48.5 t -82.18 114.13 20.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 68' ' ' SER . 85.9 p -35.31 -41.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.871 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.6 m -152.41 174.96 13.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.828 0.347 . . . . 0.0 110.838 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t -63.8 123.8 19.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.88 -142.78 3.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -38.66 -47.36 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.902 0.382 . . . . 0.0 110.789 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 p -115.48 177.04 4.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.54 109.07 0.54 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.445 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -108.88 117.12 33.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -89.45 148.46 23.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.448 ' SG ' HD13 ' A' ' 63' ' ' LEU . 64.6 m -145.52 123.83 12.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -87.92 132.43 34.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.625 HG21 ' HB ' ' A' ' 26' ' ' ILE . 48.8 t -81.6 118.91 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.487 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -100.43 -20.94 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.163 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.448 ' HB3' ' CD2' ' A' ' 60' ' ' PHE . 9.1 m-85 -125.17 131.84 24.17 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.641 0.734 . . . . 0.0 110.853 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 116.17 4.43 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.572 ' CE2' ' HG3' ' A' ' 57' ' ' PRO . 53.8 t80 -119.97 117.7 28.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -92.87 124.86 37.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.524 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -68.97 142.5 54.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -92.87 -44.79 8.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -122.64 164.32 18.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -41.98 -51.72 4.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -46.39 -56.37 5.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.524 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 35.0 mt-10 -57.66 148.73 23.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 tp -112.13 144.79 40.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.421 ' O ' HD23 ' A' ' 49' ' ' LEU . 89.7 m -92.07 129.76 37.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.625 ' HB ' HG21 ' A' ' 12' ' ' VAL . 20.1 pt -132.22 125.17 53.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.5 171.8 9.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.62 104.82 13.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.56 33.84 2.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.531 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.538 ' O ' HG23 ' A' ' 12' ' ' VAL . 10.2 m-20 -131.48 128.33 39.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mp -85.32 135.9 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.407 HG22 HD13 ' A' ' 49' ' ' LEU . 84.6 t -121.05 130.17 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 62.5 m -76.39 114.38 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.6 tp -63.42 109.5 1.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.604 HD11 ' HB2' ' A' ' 48' ' ' GLU . 46.8 mm -74.92 -62.03 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -140.71 146.85 38.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -70.56 165.37 22.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.438 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 31.6 t70 -94.84 162.15 13.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.569 ' O ' ' N ' ' A' ' 41' ' ' ASP . 7.4 m -52.01 162.41 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.459 ' C ' ' O ' ' A' ' 39' ' ' CYS . 49.7 mt -32.73 -31.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.569 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -69.04 124.63 24.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.6 t -88.42 150.05 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.71 -13.28 9.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.68 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 74.2 m95 -126.4 153.76 44.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.742 0.306 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.68 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.5 m0 -164.67 154.31 13.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -114.68 141.07 48.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -153.69 166.64 31.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.604 ' HB2' HD11 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -108.72 123.15 48.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.862 0.363 . . . . 0.0 110.932 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 25' ' ' THR . 44.2 tp -140.48 113.69 8.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.5 m120 64.15 39.39 7.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.4 45.47 85.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.526 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -140.78 126.09 18.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.88 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -107.61 105.81 15.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -151.08 165.99 30.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.442 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.9 m -84.53 160.95 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.858 0.361 . . . . 0.0 111.114 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.543 ' HE1' HG21 ' A' ' 61' ' ' VAL . 10.2 p90 -161.53 152.55 15.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.738 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.572 ' HG3' ' CE2' ' A' ' 16' ' ' TYR . 54.3 Cg_endo -69.73 118.29 5.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.26 . . . . 0.0 112.337 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -52.6 -34.56 51.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -54.84 -31.95 59.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.556 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 34.8 m-85 -82.29 11.36 5.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.543 HG21 ' HE1' ' A' ' 56' ' ' PHE . 34.0 m -152.62 173.52 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -143.67 150.0 38.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.566 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.0 mm? -86.42 117.93 25.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.7 mt -77.68 149.9 34.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.0 m -145.67 172.89 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.68 164.74 22.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -30.36 22.15 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.37 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 94.0 p -52.73 157.66 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.0 t 66.77 42.22 2.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -138.04 150.08 46.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.388 . . . . 0.0 110.848 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.6 t -64.25 140.12 58.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.32 77.62 0.26 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 p -89.96 144.91 25.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.4 m -100.43 135.32 42.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.38 -174.73 20.55 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -117.08 123.05 45.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.345 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.621 ' CD2' HG21 ' A' ' 31' ' ' ILE . 3.3 m-85 -90.08 139.95 30.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.5 m -131.91 124.83 30.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -85.27 129.31 34.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 30' ' ' ASP . 88.1 t -82.6 110.61 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.664 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.35 -31.26 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -109.26 128.26 25.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.659 0.743 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 139.06 39.12 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.652 2.235 . . . . 0.0 112.304 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -145.01 128.27 16.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -101.52 107.57 18.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.24 108.55 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -68.0 -41.38 82.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.59 154.1 27.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -49.69 -40.23 39.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.07 -48.0 71.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -64.58 156.54 29.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 tp -110.34 134.26 52.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.1 m -80.7 123.47 28.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.166 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.516 HG22 HD22 ' A' ' 49' ' ' LEU . 30.0 pt -130.4 138.51 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 mmtm -116.78 157.78 24.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -62.69 117.88 6.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.84 38.81 2.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.571 ' O ' HG23 ' A' ' 12' ' ' VAL . 10.6 m-20 -147.69 131.6 17.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.621 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.2 mp -95.44 136.82 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.48 HG22 HD13 ' A' ' 49' ' ' LEU . 57.0 t -119.02 123.72 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.3 m -69.25 119.98 14.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 tp -68.12 106.06 2.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.1 mm -75.78 -61.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -137.19 142.58 42.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -71.19 165.11 24.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.442 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 30.5 t70 -96.91 161.42 13.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.56 ' O ' ' N ' ' A' ' 41' ' ' ASP . 78.9 m -51.94 162.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 39' ' ' CYS . 63.1 mt -32.38 -31.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' A' ' 39' ' ' CYS . 65.9 m-20 -69.17 124.62 24.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 43' ' ' GLY . 79.4 t -88.27 156.31 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.474 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 116.53 -15.95 14.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.54 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.67 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 75.9 m95 -123.34 150.64 43.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.761 0.315 . . . . 0.0 110.91 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.67 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.5 m0 -165.14 152.23 10.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -114.2 136.26 53.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.418 ' HA3' HG12 ' A' ' 32' ' ' VAL . . . -153.5 166.66 31.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -100.48 129.83 46.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.516 HD22 HG22 ' A' ' 26' ' ' ILE . 54.5 tp -144.11 119.76 10.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 59.77 47.56 10.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.83 38.53 92.46 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -133.17 158.9 41.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.63 108.08 9.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.36 163.1 31.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.8 m -82.97 160.77 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.38 . . . . 0.0 111.098 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.552 ' CE1' HG21 ' A' ' 61' ' ' VAL . 10.5 p90 -157.38 152.94 22.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.651 0.739 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.41 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 53.9 Cg_endo -69.8 110.38 2.55 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.345 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.544 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.2 t0 -49.86 -51.15 42.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -40.74 -43.34 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -63.18 -35.83 81.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.552 HG21 ' CE1' ' A' ' 56' ' ' PHE . 33.2 m -102.93 175.05 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -141.68 155.17 45.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.57 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.0 mm? -89.76 117.04 28.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 71.5 mt -73.46 148.28 43.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.2 p -87.88 -44.51 11.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 126.97 79.96 0.31 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 0.9 4.96 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.335 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.3 p -40.5 -60.43 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.809 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.3 t -123.04 147.35 46.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.1 p -76.97 176.45 8.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.879 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.0 t -102.05 128.34 48.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.48 55.96 0.48 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.509 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -56.49 -60.89 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 110.878 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 m -101.0 120.28 39.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.43 71.55 0.27 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.517 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -67.4 119.63 12.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.341 . . . . 0.0 110.832 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -87.43 143.56 27.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.7 m -141.2 120.5 13.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -84.71 130.52 34.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.9 t -83.43 110.61 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.662 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -95.92 -28.07 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.4 ' HB3' ' CD2' ' A' ' 60' ' ' PHE . 34.1 m-85 -113.71 128.68 25.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.678 0.751 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 136.08 32.15 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -152.27 113.78 4.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.835 ' HA ' HG23 ' A' ' 25' ' ' THR . 6.2 pt-20 -92.09 127.32 37.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.936 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.406 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -62.58 130.89 47.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.401 ' HG3' ' N ' ' A' ' 20' ' ' ASN . 2.6 pt20 -78.55 -37.0 43.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 21' ' ' ASP . 5.4 m120 -128.46 150.28 50.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 20' ' ' ASN . 22.5 m-20 -34.14 -46.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -46.51 -58.84 3.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.53 ' OE1' HG23 ' A' ' 55' ' ' VAL . 3.6 mm-40 -62.86 154.36 30.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.509 HD11 ' HB3' ' A' ' 49' ' ' LEU . 6.5 tp -108.28 127.58 53.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.835 HG23 ' HA ' ' A' ' 17' ' ' GLU . 11.6 m -76.49 105.67 7.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.094 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.4 pt -106.57 141.31 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.136 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -118.61 160.86 21.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -67.54 122.76 18.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.77 40.94 3.97 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -146.32 117.86 8.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.323 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 31' ' ' ILE . 4.0 mp -82.28 119.13 31.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.514 HG22 HD13 ' A' ' 49' ' ' LEU . 99.6 t -98.66 128.67 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.8 m -77.61 109.65 11.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -58.45 107.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.536 HD11 ' HB2' ' A' ' 48' ' ' GLU . 44.7 mm -75.49 -60.94 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -141.66 146.48 36.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -71.7 165.25 24.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -94.74 161.16 14.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.588 ' O ' ' N ' ' A' ' 41' ' ' ASP . 7.1 t -51.98 163.43 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 39' ' ' CYS . 29.0 mm -32.46 -31.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' A' ' 39' ' ' CYS . 64.1 m-20 -69.26 124.32 23.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 t -89.87 151.88 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.0 -14.43 9.6 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.552 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.678 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 68.8 m95 -126.03 156.57 39.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.769 0.319 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.678 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.1 m0 -166.03 153.66 10.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -114.48 140.74 48.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.93 172.6 31.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.536 ' HB2' HD11 ' A' ' 35' ' ' ILE . 8.2 tt0 -114.92 127.2 55.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.514 HD13 HG22 ' A' ' 32' ' ' VAL . 16.4 tp -141.42 119.24 11.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.8 m120 54.29 40.47 31.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.47 46.92 60.42 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 59.5 mtt85 -139.21 125.36 20.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -108.66 107.3 17.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.03 163.92 32.08 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.53 HG23 ' OE1' ' A' ' 23' ' ' GLU . 34.6 m -80.31 166.58 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.853 0.359 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -167.27 152.21 6.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.671 0.748 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 122.0 8.69 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.585 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -59.52 -39.54 84.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.464 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 0.8 OUTLIER -51.32 -24.09 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.436 ' C ' HG13 ' A' ' 61' ' ' VAL . 16.8 m-85 -89.06 18.03 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 58' ' ' ASP . 18.9 m -158.26 177.39 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -145.05 145.75 31.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.514 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.4 mm? -82.49 120.47 25.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.6 mt -84.57 -53.61 5.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.5 m -39.3 -65.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -142.91 85.7 0.19 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -0.72 7.34 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.336 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.8 p -93.93 -34.34 13.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.3 m -136.3 161.9 34.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.525 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -94.65 165.55 12.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -38.63 -44.05 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.8 -40.84 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.1 p -119.65 105.63 11.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.916 0.389 . . . . 0.0 110.85 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -77.02 -60.88 2.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.65 87.2 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.513 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -111.08 115.74 29.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.791 0.329 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.404 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.8 m-85 -87.09 136.78 32.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.8 m -134.0 124.77 26.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -84.95 130.33 34.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.524 HG21 ' HB ' ' A' ' 26' ' ' ILE . 97.4 t -83.46 110.54 18.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.756 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -94.33 -32.94 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.423 ' N ' HG12 ' A' ' 13' ' ' ILE . 48.8 m-85 -109.22 128.85 24.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.743 . . . . 0.0 110.853 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.421 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 53.9 Cg_endo -69.77 128.61 16.27 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.395 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.544 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 23.0 t80 -131.12 137.61 49.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -112.14 111.2 21.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.497 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -55.82 112.7 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -59.14 -43.26 92.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -131.28 173.1 11.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 22' ' ' ASP . 3.5 p-10 -46.81 -60.0 2.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -36.03 -52.64 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.43 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 40.2 mp0 -67.44 147.95 52.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.497 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 7.6 tp -102.62 149.36 24.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.447 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 19.6 m -95.32 123.32 38.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.524 ' HB ' HG21 ' A' ' 12' ' ' VAL . 31.2 pt -129.1 133.49 65.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -108.1 174.07 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.421 ' CG ' ' HD3' ' A' ' 15' ' ' PRO . 51.9 mt-10 -77.11 117.26 18.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.831 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.2 40.7 3.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.439 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.1 m-20 -144.73 126.63 15.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.75 0.309 . . . . 0.0 110.847 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.404 HG21 ' CD2' ' A' ' 9' ' ' TYR . 5.2 mp -90.76 135.75 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.75 HG22 HD13 ' A' ' 49' ' ' LEU . 60.3 t -113.88 125.88 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.2 m -72.02 110.52 6.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.4 tp -59.34 109.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.658 HD11 ' HB2' ' A' ' 48' ' ' GLU . 32.1 mm -76.92 -62.16 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.133 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -140.67 144.71 35.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -70.29 165.43 22.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 17.5 t70 -95.37 162.63 13.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.58 ' O ' ' N ' ' A' ' 41' ' ' ASP . 84.3 m -51.95 163.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.714 ' H ' HD12 ' A' ' 40' ' ' ILE . 4.7 mp -32.91 -30.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' A' ' 39' ' ' CYS . 79.2 m-20 -69.34 124.67 24.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 t -89.47 149.01 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.48 -13.9 8.77 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.66 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 72.6 m95 -126.69 150.2 49.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.773 0.32 . . . . 0.0 110.919 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.66 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 11.1 m0 -160.91 155.15 23.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -115.74 142.35 46.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.0 172.94 31.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.541 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.658 ' HB2' HD11 ' A' ' 35' ' ' ILE . 8.4 tt0 -116.17 128.38 55.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.75 HD13 HG22 ' A' ' 32' ' ' VAL . 12.0 tp -144.01 112.92 6.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.2 m120 61.02 46.48 8.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.95 39.82 98.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.5 mmt-85 -132.61 133.92 44.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.819 0.342 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 17.2 mtm105 -115.61 109.97 18.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.43 163.37 30.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.5 m -85.98 158.2 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -157.66 149.83 17.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.647 0.736 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.534 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 53.8 Cg_endo -69.74 120.81 7.54 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.638 2.225 . . . . 0.0 112.356 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -55.46 -31.36 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -59.14 -27.75 65.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.544 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 23.7 m-85 -83.86 -4.76 58.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.523 HG22 ' HA ' ' A' ' 58' ' ' ASP . 17.0 m -135.89 174.79 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -143.56 149.35 37.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.498 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.0 mm? -86.81 114.13 23.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.4 mt -72.42 144.73 48.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.0 t -112.37 115.5 28.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 129.3 81.82 0.29 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.5 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 127.57 14.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.26 . . . . 0.0 112.351 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.6 m -120.12 103.32 9.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.3 t -73.61 159.01 33.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.461 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.4 m -97.54 158.67 15.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 0.0 110.891 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 m -92.63 164.06 13.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.4 -43.4 1.27 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.1 p -62.92 -38.59 91.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 110.907 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 t -86.68 -51.94 5.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.34 174.17 46.48 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.533 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -146.73 145.74 30.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.816 0.341 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.487 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.7 m-85 -87.03 127.39 35.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.0 m -125.79 130.65 51.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.526 ' HB2' HD21 ' A' ' 64' ' ' LEU . 78.5 tttt -86.2 129.6 34.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.454 HG22 HG12 ' A' ' 61' ' ' VAL . 94.6 t -87.33 106.57 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.755 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -94.36 -34.46 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.45 ' N ' HG12 ' A' ' 13' ' ' ILE . 15.4 m-85 -106.24 129.09 25.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.678 0.751 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 140.88 43.54 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.475 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 86.4 t80 -146.8 140.33 25.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -112.74 120.75 42.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.457 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -62.16 110.25 1.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -68.99 -41.83 77.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -118.99 156.39 29.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -39.53 -55.53 1.8 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -44.65 -55.65 5.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -53.8 146.31 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.476 ' HG ' ' N ' ' A' ' 25' ' ' THR . 7.5 tp -104.72 151.1 24.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.476 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 20.0 m -95.86 113.36 24.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.443 ' HB ' HG21 ' A' ' 12' ' ' VAL . 29.9 pt -121.3 145.77 27.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -123.72 158.97 30.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -66.99 116.9 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.98 42.5 1.93 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -154.16 137.18 15.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.726 0.298 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.487 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.7 mp -96.11 141.68 15.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.572 HG22 HD13 ' A' ' 49' ' ' LEU . 48.6 t -124.49 136.08 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.8 m -78.28 117.78 19.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 tp -64.57 114.06 4.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.788 HD11 ' HB2' ' A' ' 48' ' ' GLU . 18.1 mm -77.18 -53.95 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -151.49 150.85 30.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -75.31 165.26 25.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.442 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 31.7 t70 -98.83 161.73 13.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.845 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.578 ' O ' ' N ' ' A' ' 41' ' ' ASP . 81.0 m -51.98 163.43 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 39' ' ' CYS . 24.1 mt -33.17 -29.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.578 ' N ' ' O ' ' A' ' 39' ' ' CYS . 76.2 m-20 -69.17 124.47 23.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.5 t -89.88 147.4 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 57' ' ' PRO . . . 122.8 -11.09 8.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.678 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 84.1 m95 -126.58 150.79 48.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.759 0.314 . . . . 0.0 110.928 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.678 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.5 m0 -164.96 154.52 13.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -117.24 123.44 46.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -134.11 160.25 24.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.51 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.788 ' HB2' HD11 ' A' ' 35' ' ' ILE . 15.5 tt0 -109.26 128.54 55.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 0.0 110.856 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.572 HD13 HG22 ' A' ' 32' ' ' VAL . 5.7 tp -142.98 125.91 16.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.1 m120 62.57 33.11 16.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.26 31.92 56.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.457 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 -143.19 120.69 11.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.796 0.332 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -106.56 123.46 48.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.62 166.41 31.27 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.0 m -79.04 152.34 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.523 ' CE1' HG21 ' A' ' 61' ' ' VAL . 4.5 p90 -158.84 153.32 20.47 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.681 0.753 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 53.8 Cg_endo -69.76 107.02 1.77 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.313 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.547 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.3 t0 -44.36 -51.57 8.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -37.71 -47.6 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.475 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 6.6 m-85 -58.06 -39.0 77.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.523 HG21 ' CE1' ' A' ' 56' ' ' PHE . 31.9 m -102.8 177.94 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -145.31 157.3 44.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.497 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.6 mm? -89.19 133.62 34.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.526 HD21 ' HB2' ' A' ' 11' ' ' LYS . 36.6 mt -93.55 17.72 11.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.5 t -96.08 -57.12 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.6 84.78 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.453 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 160.14 50.76 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.299 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.1 t -89.33 149.04 23.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.0 t -88.15 151.06 22.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t -83.5 -58.72 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 110.834 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 p -70.8 131.31 43.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.44 -112.99 0.56 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t 54.14 42.07 31.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.8 t -66.18 -50.82 62.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.4 135.19 3.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -77.89 121.75 24.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -87.06 146.68 26.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.406 ' SG ' HD13 ' A' ' 63' ' ' LEU . 64.4 m -144.42 118.65 9.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.854 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -84.29 129.62 34.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.422 HG21 ' HB ' ' A' ' 26' ' ' ILE . 87.6 t -83.11 107.2 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.798 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -94.09 -32.47 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.439 ' N ' HG12 ' A' ' 13' ' ' ILE . 80.1 m-85 -107.97 123.43 37.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.645 0.735 . . . . 0.0 110.878 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 138.38 37.65 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.303 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.567 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 76.9 t80 -141.2 154.07 45.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -121.05 116.52 25.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.4 102.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 20' ' ' ASN . 1.3 pt20 -54.87 -35.9 64.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.415 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 3.7 m120 -137.79 164.14 29.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -47.83 -41.78 24.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -50.02 -46.46 52.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.421 ' OE1' HG23 ' A' ' 55' ' ' VAL . 7.4 mm-40 -74.75 160.2 31.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 25' ' ' THR . 6.1 tp -111.85 150.56 30.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.465 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 21.6 m -90.86 130.94 36.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.186 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.422 ' HB ' HG21 ' A' ' 12' ' ' VAL . 40.0 pt -139.88 138.12 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -120.94 162.12 20.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.26 116.9 8.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.05 40.3 1.99 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.522 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -151.27 122.94 7.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.48 HD12 ' N ' ' A' ' 31' ' ' ILE . 4.5 mp -87.44 125.15 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.475 HG22 HD13 ' A' ' 49' ' ' LEU . 81.5 t -103.28 126.41 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.7 m -74.45 111.61 9.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.7 tp -60.91 107.19 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.623 HD11 ' HB2' ' A' ' 48' ' ' GLU . 47.6 mm -74.54 -61.7 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -140.35 149.01 42.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -74.03 164.43 26.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 22.7 t70 -94.06 162.45 13.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.577 ' O ' ' N ' ' A' ' 41' ' ' ASP . 4.6 t -51.99 162.95 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.461 ' C ' ' O ' ' A' ' 39' ' ' CYS . 49.3 mm -32.59 -31.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' A' ' 39' ' ' CYS . 79.8 m-20 -69.05 124.59 24.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -89.22 150.29 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.73 -13.98 9.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.673 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 76.4 m95 -126.43 151.14 48.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.756 0.312 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.68 ' CZ3' HD21 ' A' ' 63' ' ' LEU . 11.1 m0 -161.79 154.37 20.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -114.54 138.31 50.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.31 166.42 30.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.623 ' HB2' HD11 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -108.17 124.05 49.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.878 0.371 . . . . 0.0 110.918 -179.865 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.475 HD13 HG22 ' A' ' 32' ' ' VAL . 7.0 tp -141.55 111.64 6.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 66.4 40.2 3.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.13 45.5 91.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -141.13 131.75 25.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.4 mtp85 -110.54 105.97 15.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -150.48 161.26 28.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.421 HG23 ' OE1' ' A' ' 23' ' ' GLU . 27.4 m -81.61 161.43 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 111.132 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.458 ' HE1' HG21 ' A' ' 61' ' ' VAL . 8.7 p90 -160.78 152.27 16.17 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.621 0.724 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 117.6 5.18 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.587 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -54.26 -33.15 57.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -56.43 -33.56 65.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 15.9 m-85 -78.32 -2.02 36.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.458 HG21 ' HE1' ' A' ' 56' ' ' PHE . 27.2 m -138.68 176.23 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -144.96 148.8 34.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.68 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.2 mm? -84.57 111.93 19.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.7 mt -74.67 130.55 39.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -138.49 114.74 10.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.801 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.09 170.62 39.41 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.479 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 170.51 16.42 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 t -57.05 131.83 51.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 53.0 p -48.34 -46.7 36.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 m -103.58 134.08 47.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.362 . . . . 0.0 110.882 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.5 m -103.47 125.5 50.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.9 -99.57 0.46 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.4 t -102.6 144.05 31.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.352 . . . . 0.0 110.843 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 m -130.16 172.69 11.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.64 174.35 15.2 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.484 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.11 116.43 19.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.813 ' CD2' HG21 ' A' ' 31' ' ' ILE . 3.2 m-85 -86.99 121.67 29.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 79.4 m -118.86 129.89 55.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -88.03 129.04 35.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.511 HG13 HD12 ' A' ' 26' ' ' ILE . 97.8 t -85.68 107.74 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.745 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -93.73 -33.55 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.403 ' N ' HG12 ' A' ' 13' ' ' ILE . 62.6 m-85 -106.23 122.07 43.39 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.728 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 124.36 11.02 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.637 2.225 . . . . 0.0 112.345 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.549 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 80.3 t80 -125.34 142.93 51.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -112.51 110.79 21.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.446 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -54.54 102.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -55.52 -43.4 75.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -126.57 172.93 9.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -53.04 -47.03 68.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.03 -55.29 4.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -66.15 156.66 33.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.446 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 4.6 tp -108.59 147.62 31.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.442 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 62.5 m -89.77 118.42 29.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.511 HD12 HG13 ' A' ' 12' ' ' VAL . 50.0 pt -126.07 140.66 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -114.63 158.24 22.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -64.34 123.83 20.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.38 41.35 4.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.456 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -141.59 133.14 26.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.813 HG21 ' CD2' ' A' ' 9' ' ' TYR . 3.9 mp -92.52 136.36 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.598 HG22 HD13 ' A' ' 49' ' ' LEU . 96.7 t -121.79 123.94 70.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.151 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.7 m -72.45 111.74 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.3 tp -59.22 106.4 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.593 HD11 ' HB2' ' A' ' 48' ' ' GLU . 45.7 mm -72.09 -62.1 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.142 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -141.41 140.05 33.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -65.73 165.28 12.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 44' ' ' TRP . 33.4 t70 -93.67 161.92 14.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.573 ' O ' ' N ' ' A' ' 41' ' ' ASP . 68.0 m -51.93 162.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.461 ' C ' ' O ' ' A' ' 39' ' ' CYS . 35.4 mm -32.3 -32.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 39' ' ' CYS . 71.4 m-20 -68.67 124.66 24.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.0 t -89.35 151.04 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.68 -15.9 9.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.665 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 58.8 m95 -126.15 155.73 41.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.733 0.301 . . . . 0.0 110.953 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.665 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.4 m0 -165.41 159.61 17.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -119.63 137.25 53.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.838 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.73 163.18 29.3 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.593 ' HB2' HD11 ' A' ' 35' ' ' ILE . 8.9 tt0 -103.67 130.24 51.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.926 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.598 HD13 HG22 ' A' ' 32' ' ' VAL . 6.3 tp -144.04 125.47 14.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 49' ' ' LEU . 9.9 p30 51.98 32.33 9.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.5 46.86 17.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -142.96 131.68 22.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -110.07 111.46 22.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.99 162.78 31.51 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.6 m -80.83 165.04 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.436 ' C ' ' CD1' ' A' ' 56' ' ' PHE . 4.5 p90 -167.11 152.82 7.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.669 0.747 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.448 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 53.4 Cg_endo -69.75 116.44 4.56 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.319 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.552 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.6 t0 -52.35 -33.93 45.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -58.41 -23.91 58.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.549 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 10.9 m-85 -86.84 2.04 50.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.503 HG12 HG22 ' A' ' 12' ' ' VAL . 35.1 m -141.62 172.53 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -136.65 152.24 50.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.91 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.588 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.9 mm? -90.96 106.13 18.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.0 mt -77.3 131.1 37.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.3 m -136.4 149.46 48.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 151.46 83.61 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 130.28 19.04 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.751 2.301 . . . . 0.0 112.312 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.7 p -73.63 -47.8 37.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.0 t -60.03 130.72 48.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.513 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 m -96.63 144.53 26.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -42.53 -44.89 4.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.83 124.38 5.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.522 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 m -149.88 121.07 7.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.834 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 m -75.53 130.09 38.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.99 170.41 35.39 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.449 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -88.26 118.06 27.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.671 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.8 m-85 -87.19 130.44 34.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.4 m -123.71 130.19 52.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.544 ' HB2' HD21 ' A' ' 64' ' ' LEU . 27.1 tttm -87.64 129.87 34.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.47 HG13 HD12 ' A' ' 26' ' ' ILE . 97.9 t -87.44 107.93 17.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.742 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -95.29 -31.81 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -108.4 121.87 42.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.668 0.747 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 135.39 30.36 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.245 . . . . 0.0 112.332 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.499 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 61.1 t80 -143.12 144.88 32.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -110.1 131.2 55.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.18 104.57 5.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 20' ' ' ASN . 21.3 pt20 -59.34 -38.11 79.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.453 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 24.5 m120 -127.34 173.35 9.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.55 -45.64 81.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -45.74 -60.28 2.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -60.41 155.14 18.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.449 ' HG ' ' N ' ' A' ' 25' ' ' THR . 6.1 tp -108.64 148.96 29.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.449 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 63.4 m -91.63 112.1 23.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.47 HD12 HG13 ' A' ' 12' ' ' VAL . 40.3 pt -119.11 137.23 53.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 27' ' ' LYS . 1.8 mppt? -113.8 161.06 18.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -64.63 120.26 12.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.99 44.76 4.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.46 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.1 m-20 -145.3 125.41 13.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.801 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.671 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.0 mp -90.21 132.55 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.853 HG22 ' HB2' ' A' ' 49' ' ' LEU . 60.1 t -117.08 127.05 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.14 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.5 m -70.53 115.9 10.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -59.48 117.59 5.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.8 HD11 ' HB2' ' A' ' 48' ' ' GLU . 20.6 mm -80.91 -55.37 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -152.51 145.46 24.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -68.76 165.14 20.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.437 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 33.2 t70 -97.08 161.54 13.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.579 ' O ' ' N ' ' A' ' 41' ' ' ASP . 3.5 m -51.98 163.25 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.716 ' H ' HD12 ' A' ' 40' ' ' ILE . 4.6 mp -32.55 -30.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' A' ' 39' ' ' CYS . 69.1 m-20 -69.39 124.51 24.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.1 t -89.47 151.84 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.18 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 57' ' ' PRO . . . 120.39 -13.26 10.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.676 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 72.7 m95 -125.98 154.12 43.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.78 0.324 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.676 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.4 m0 -165.95 152.1 9.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -114.56 119.67 37.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -132.7 159.41 23.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.8 ' HB2' HD11 ' A' ' 35' ' ' ILE . 5.4 tt0 -109.32 129.95 55.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.893 0.378 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.853 ' HB2' HG22 ' A' ' 32' ' ' VAL . 6.2 tp -144.09 124.72 14.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.1 m120 63.41 34.55 12.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.71 31.11 60.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -143.01 120.88 11.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.775 0.321 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -108.72 125.26 51.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.11 165.85 31.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.5 m -79.87 141.66 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.832 0.348 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.598 ' CE1' HG21 ' A' ' 61' ' ' VAL . 4.5 p90 -148.1 153.37 41.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.634 0.731 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 53.5 Cg_endo -69.79 106.76 1.72 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 61' ' ' VAL . 1.7 t0 -41.11 -53.04 3.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' ASP . 7.0 t-20 -37.38 -49.58 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.499 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 8.0 m-85 -55.94 -39.22 71.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.598 HG21 ' CE1' ' A' ' 56' ' ' PHE . 26.3 m -102.64 178.19 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -146.74 157.34 43.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.499 ' CD2' ' CZ3' ' A' ' 45' ' ' TRP . 3.5 mm? -89.12 126.96 35.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.544 HD21 ' HB2' ' A' ' 11' ' ' LYS . 57.5 mt -83.72 155.59 23.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 m -56.28 -55.4 33.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 128.77 145.06 5.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -2.22 9.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.6 t -93.92 173.53 7.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.3 p -107.99 159.22 16.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.461 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.0 p -84.19 133.0 34.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 110.847 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 p -72.56 -39.66 67.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.77 131.84 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -45.69 -48.16 15.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 p 54.44 39.69 31.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.08 153.83 30.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.9 127.81 46.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.823 0.344 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.448 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.7 m-85 -88.9 134.58 33.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.7 m -132.4 125.42 30.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.54 ' HB3' HD21 ' A' ' 64' ' ' LEU . 11.0 ttmm -87.36 133.01 33.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.628 HG22 HG12 ' A' ' 61' ' ' VAL . 84.3 t -87.51 118.99 34.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.765 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -106.39 -29.97 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -109.75 128.0 26.16 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 125.56 12.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.242 . . . . 0.0 112.335 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.588 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 10.3 t80 -127.7 144.23 51.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -115.1 117.55 30.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.16 104.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -63.98 -41.5 97.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.7 m-20 -118.61 136.4 53.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' ASN . 3.9 p-10 -34.37 -41.28 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -54.55 -54.78 36.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.561 ' CD ' ' CG2' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -52.83 176.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.897 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 25' ' ' THR . 3.3 tp -123.56 149.33 45.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.465 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 26.8 m -96.85 128.33 43.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.157 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.421 ' HB ' HG21 ' A' ' 12' ' ' VAL . 46.8 pt -131.49 152.44 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -131.97 161.97 31.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -59.87 126.21 26.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.86 45.53 5.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.448 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.589 ' O ' HG23 ' A' ' 12' ' ' VAL . 20.1 m-20 -146.8 111.49 5.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.77 0.319 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.448 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.5 mp -84.04 124.18 39.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.448 HG22 ' HB2' ' A' ' 49' ' ' LEU . 96.7 t -108.73 122.51 63.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.0 m -67.59 109.99 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tp -58.92 113.06 1.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.632 HD11 ' HB2' ' A' ' 48' ' ' GLU . 46.0 mm -80.18 -59.4 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -140.52 141.43 35.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -68.35 165.22 19.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 44' ' ' TRP . 15.2 t70 -97.51 161.62 13.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 41' ' ' ASP . 54.5 m -52.03 163.15 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.725 ' H ' HD12 ' A' ' 40' ' ' ILE . 4.7 mp -32.56 -30.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 39' ' ' CYS . 67.4 m-20 -69.27 124.52 24.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 43' ' ' GLY . 78.7 t -89.35 155.09 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.455 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 116.97 -13.86 14.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.662 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 67.7 m95 -126.07 153.8 43.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.704 0.288 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.672 ' CZ3' HD21 ' A' ' 63' ' ' LEU . 10.3 m0 -166.0 151.94 9.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -113.68 123.77 50.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -136.61 168.03 24.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.632 ' HB2' HD11 ' A' ' 35' ' ' ILE . 0.3 OUTLIER -109.74 123.45 49.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.903 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.448 ' HB2' HG22 ' A' ' 32' ' ' VAL . 61.2 tp -136.81 119.93 16.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 56.09 40.54 30.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.45 41.89 83.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 47.8 mtt85 -140.25 123.57 16.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.852 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -107.55 107.24 17.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -147.95 165.83 28.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.561 ' CG2' ' CD ' ' A' ' 23' ' ' GLU . 27.8 m -83.25 144.51 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.861 0.362 . . . . 0.0 111.162 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -143.87 153.25 57.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.691 0.758 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 53.8 Cg_endo -69.75 107.95 1.97 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.371 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.526 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 1.4 t0 -49.83 -48.48 50.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -43.53 -43.85 5.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.588 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 9.9 m-85 -60.4 -36.78 78.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.628 HG12 HG22 ' A' ' 12' ' ' VAL . 30.5 m -102.96 174.88 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -140.01 152.34 46.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.672 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.4 mm? -85.7 122.4 29.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 11' ' ' LYS . 54.6 mt -80.77 -60.76 2.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.8 m -119.68 168.39 11.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.68 -106.42 0.5 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 165.82 29.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.1 p -82.13 -46.51 13.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' GLY . 47.4 t -86.99 127.15 35.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 69' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.458 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -77.52 -49.55 14.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.843 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 4' ' ' GLY . 5.7 t -121.83 172.53 8.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -36.1 -75.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.508 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -57.36 127.21 30.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 t -40.49 -46.25 2.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.21 176.52 40.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -112.67 117.22 31.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -89.14 153.44 20.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.4 m -147.32 130.97 16.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.55 ' CB ' HD21 ' A' ' 64' ' ' LEU . 38.7 tttp -91.35 129.13 37.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 30' ' ' ASP . 94.9 t -83.77 105.48 13.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.882 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -98.87 -30.25 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.419 ' N ' HG12 ' A' ' 13' ' ' ILE . 32.3 m-85 -107.59 131.46 21.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.646 0.736 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 134.51 28.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.652 2.235 . . . . 0.0 112.302 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.574 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 4.5 t80 -145.66 132.75 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -104.87 133.22 50.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.99 132.56 43.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -79.74 -45.68 18.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -133.01 173.1 11.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -44.86 -44.12 9.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.489 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 1.7 m-20 -53.43 -52.31 59.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.1 mp0 -66.75 146.86 54.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.557 HD11 ' HB3' ' A' ' 49' ' ' LEU . 5.4 tp -112.16 143.06 43.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.2 m -85.54 138.01 32.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.459 ' HB ' HG21 ' A' ' 12' ' ' VAL . 32.0 pt -147.07 134.01 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.11 163.46 16.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -63.19 113.64 3.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.402 ' O ' ' OD1' ' A' ' 30' ' ' ASP . . . 108.44 36.81 2.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.472 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.651 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -143.54 124.33 14.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.419 HD12 ' N ' ' A' ' 31' ' ' ILE . 4.2 mp -91.6 131.53 38.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.467 HG22 HD13 ' A' ' 49' ' ' LEU . 62.4 t -117.12 132.1 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.8 m -80.65 112.48 18.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.5 tp -59.97 111.14 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.673 HD11 ' HB2' ' A' ' 48' ' ' GLU . 49.2 mm -77.21 -60.75 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -136.34 146.45 46.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -76.86 165.19 25.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 21.3 t70 -98.82 161.78 13.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 41' ' ' ASP . 17.6 m -52.05 163.03 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 39' ' ' CYS . 41.4 mm -32.97 -30.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -69.32 124.7 24.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.859 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 43' ' ' GLY . 71.5 t -88.83 154.44 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.088 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.44 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 118.32 -15.79 11.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.671 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 74.2 m95 -124.46 146.41 48.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.671 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.9 m0 -162.75 152.76 16.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -114.51 136.58 52.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.3 167.38 28.49 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.673 ' HB2' HD11 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -108.16 127.62 53.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.917 -179.865 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.557 ' HB3' HD11 ' A' ' 24' ' ' LEU . 7.0 tp -144.08 124.01 13.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 54.69 43.79 29.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.04 42.02 99.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.433 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -140.91 131.5 25.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -111.74 110.5 20.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 22' ' ' ASP . . . -151.61 163.27 29.92 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.2 m -81.25 158.6 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 111.09 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.43 ' CE1' HG21 ' A' ' 61' ' ' VAL . 5.4 p90 -157.37 152.88 22.19 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.643 0.735 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.491 ' HG3' ' CD2' ' A' ' 16' ' ' TYR . 53.6 Cg_endo -69.76 110.91 2.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.303 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.553 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 1.9 t0 -50.72 -49.45 57.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -42.18 -42.79 3.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 9.4 m-85 -62.53 -36.54 82.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.43 HG21 ' CE1' ' A' ' 56' ' ' PHE . 34.4 m -103.82 177.85 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -142.8 157.45 44.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.633 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.5 mm? -89.32 121.55 31.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.55 HD21 ' CB ' ' A' ' 11' ' ' LYS . 63.4 mt -80.6 169.04 18.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.5 p -75.91 -43.01 47.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 136.63 -110.68 0.8 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 68' ' ' SER . 54.0 Cg_endo -69.75 96.34 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 67' ' ' PRO . 53.0 p -34.58 -45.99 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.2 t -130.54 166.8 19.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.884 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 -179.948 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -93.93 122.22 36.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.875 0.369 . . . . 0.0 110.835 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 p -139.56 125.5 19.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.824 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.51 -159.99 24.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 m -113.19 174.94 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.907 0.384 . . . . 0.0 110.84 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 m -148.71 158.47 44.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.4 -171.94 31.25 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -119.61 136.67 54.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -87.47 126.02 34.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.971 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.6 m -124.91 128.55 48.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.4 tttp -85.18 132.09 34.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.489 HG13 HD12 ' A' ' 26' ' ' ILE . 95.5 t -88.89 108.19 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.747 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -100.73 -27.81 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -110.78 129.74 23.64 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.633 0.73 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 139.72 41.06 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.556 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 87.6 t80 -143.04 118.18 10.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -94.55 110.16 22.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.462 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -58.91 131.69 51.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -90.57 -41.3 11.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -114.01 167.7 10.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -53.31 -45.53 69.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -53.4 -51.28 63.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.462 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 26.6 mt-10 -59.59 140.54 56.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.6 tp -101.04 144.59 29.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.9 m -92.68 111.99 23.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.489 HD12 HG13 ' A' ' 12' ' ' VAL . 34.8 pt -123.68 141.94 42.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -121.4 156.35 32.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -59.73 112.88 1.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.84 40.33 1.1 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.468 ' O ' HG23 ' A' ' 12' ' ' VAL . 5.0 m-20 -153.98 134.44 13.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.474 HD12 ' N ' ' A' ' 31' ' ' ILE . 3.3 mp -94.75 141.2 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.149 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.1 t -123.23 128.45 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.1 m -75.08 113.55 12.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -61.87 107.41 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.453 HG21 ' HD2' ' A' ' 53' ' ' ARG . 23.7 mm -73.17 -58.72 4.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -148.06 149.24 31.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -69.65 165.19 21.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.417 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 33.9 t70 -91.74 162.2 14.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.577 ' O ' ' N ' ' A' ' 41' ' ' ASP . 63.0 m -51.98 162.86 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 39' ' ' CYS . 22.0 mt -32.03 -32.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' A' ' 39' ' ' CYS . 9.6 m-20 -69.17 124.48 23.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.3 t -88.57 150.65 3.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.59 -14.06 9.29 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.451 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.669 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 69.6 m95 -126.33 158.25 36.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.771 0.319 . . . . 0.0 110.914 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.669 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.5 m0 -164.1 153.41 13.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -112.87 130.02 56.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.93 160.4 27.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.521 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -108.2 120.68 43.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.916 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.9 tp -128.89 111.0 12.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 66.78 32.38 6.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.84 -23.17 18.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -84.42 121.14 27.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 53' ' ' ARG . 6.2 ttp-105 -106.71 123.92 48.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.16 164.82 32.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.5 m -79.47 159.9 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 111.09 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.421 ' C ' ' CD1' ' A' ' 56' ' ' PHE . 3.8 p90 -163.5 152.48 12.15 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.669 0.747 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.465 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 53.5 Cg_endo -69.78 119.6 6.52 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.336 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -54.64 -43.43 72.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.489 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 17.2 t-20 -48.29 -36.73 14.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.556 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 10.5 m-85 -67.18 -38.52 85.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' A' ' 58' ' ' ASP . 17.9 m -103.45 179.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -144.28 154.92 43.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.543 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.7 mm? -90.22 125.16 35.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.4 mt -89.03 153.38 21.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.1 p -87.2 119.07 27.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.8 -91.92 1.77 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 100.19 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 t -134.32 111.58 10.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.5 m -46.18 -57.09 4.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.446 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 m 59.38 42.46 17.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.828 0.347 . . . . 0.0 110.831 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.2 m -122.61 112.78 18.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.73 -79.37 0.43 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.539 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.2 t -57.03 -50.23 73.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.832 0.349 . . . . 0.0 110.838 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 t -87.87 139.39 30.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.829 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.39 -92.24 2.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.465 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -132.19 138.35 47.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.404 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.7 m-85 -86.92 129.2 34.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.536 ' SG ' HD13 ' A' ' 63' ' ' LEU . 66.8 m -127.7 127.62 44.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -84.11 129.85 34.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 30' ' ' ASP . 76.7 t -87.41 106.84 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.116 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.816 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.56 -30.64 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.412 ' N ' HG12 ' A' ' 13' ' ' ILE . 20.9 m-85 -106.88 121.7 44.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.645 0.736 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 133.4 25.47 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.374 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -126.48 157.28 39.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.957 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -127.12 107.28 9.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.65 115.3 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 20' ' ' ASN . 1.9 pt20 -72.42 -34.45 67.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.465 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 5.1 m120 -134.61 166.79 22.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -47.92 -55.55 9.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -40.29 -45.34 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -72.58 149.43 44.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 tp -107.58 140.36 40.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.4 m -92.76 137.08 32.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.718 HG22 HD22 ' A' ' 49' ' ' LEU . 25.1 pt -143.19 151.14 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.65 161.84 19.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -69.87 111.07 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.93 39.42 1.07 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.624 ' O ' HG23 ' A' ' 12' ' ' VAL . 14.3 m-20 -149.03 132.86 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.761 0.315 . . . . 0.0 110.847 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.404 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.8 mp -94.76 131.08 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.582 HG22 HD13 ' A' ' 49' ' ' LEU . 99.2 t -110.31 128.3 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.3 m -75.75 112.03 11.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.3 tp -58.49 107.49 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.813 HD11 ' HB2' ' A' ' 48' ' ' GLU . 48.0 mm -73.16 -59.23 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -144.56 144.71 31.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -70.12 165.19 22.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 44' ' ' TRP . 23.6 t70 -95.23 161.9 13.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.598 ' O ' ' N ' ' A' ' 41' ' ' ASP . 23.4 m -52.09 163.57 0.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 39' ' ' CYS . 60.1 mt -32.52 -30.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.598 ' N ' ' O ' ' A' ' 39' ' ' CYS . 3.7 m-20 -69.17 124.5 23.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.832 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 43' ' ' GLY . 61.1 t -90.6 152.24 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.4 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 120.81 -15.41 9.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.661 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 62.8 m95 -126.21 155.87 41.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.74 0.305 . . . . 0.0 110.944 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.661 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.1 m0 -164.16 153.57 13.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -113.77 128.2 56.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.49 164.14 26.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.813 ' HB2' HD11 ' A' ' 35' ' ' ILE . 11.7 tt0 -106.89 127.96 53.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.87 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.718 HD22 HG22 ' A' ' 26' ' ' ILE . 26.8 tp -144.1 116.76 8.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 58.99 39.57 23.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.58 48.32 57.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.474 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -142.99 127.6 18.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.89 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -109.77 107.61 17.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.3 165.1 30.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.4 m -83.15 165.56 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.439 ' C ' ' CD1' ' A' ' 56' ' ' PHE . 4.4 p90 -167.24 153.23 7.52 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.686 0.755 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 116.05 4.37 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.389 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.587 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -53.46 -45.81 69.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.492 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 5.2 p-10 -44.85 -39.91 5.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -63.35 -38.52 91.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' A' ' 58' ' ' ASP . 19.3 m -103.56 177.26 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -142.47 151.02 41.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.558 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.2 mm? -88.17 128.62 35.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.5 mt -96.04 162.53 13.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.6 m -99.37 146.98 25.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -163.84 156.96 29.06 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 1.92 4.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.631 2.221 . . . . 0.0 112.29 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.3 p -83.39 160.99 21.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.5 m -140.18 152.24 45.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.797 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 t -118.82 121.09 39.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 0.0 110.859 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 t -45.12 -58.91 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.66 159.85 0.28 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.6 m -72.14 124.86 25.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.853 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -123.21 147.7 46.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.58 -134.42 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.465 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -114.91 146.29 41.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.557 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.7 m-85 -89.62 131.24 35.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.7 m -126.65 126.43 43.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.432 ' CB ' HD21 ' A' ' 64' ' ' LEU . 61.0 tttt -84.25 131.68 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.66 HG22 HG12 ' A' ' 61' ' ' VAL . 57.5 t -89.74 117.03 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.162 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.424 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -102.56 -30.84 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.488 ' HB3' ' CD2' ' A' ' 60' ' ' PHE . 8.1 m-85 -107.41 125.05 33.27 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.662 0.744 . . . . 0.0 110.828 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 134.54 28.2 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.386 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.437 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 78.0 t80 -143.45 138.55 29.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -110.25 123.59 50.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.29 125.46 25.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.461 ' HG3' ' N ' ' A' ' 20' ' ' ASN . 7.5 pt20 -81.22 -38.93 26.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.461 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 41.2 m-80 -120.81 167.47 12.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -54.55 -44.89 73.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.431 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 21.5 t0 -52.31 -47.89 65.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -67.6 145.24 55.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.514 HD11 ' HB3' ' A' ' 49' ' ' LEU . 6.1 tp -102.22 140.04 37.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.7 m -88.5 118.31 28.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.68 HG22 HD22 ' A' ' 49' ' ' LEU . 38.1 pt -122.29 136.34 59.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -115.43 168.11 10.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -72.57 107.3 5.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.35 36.16 1.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -142.79 139.03 30.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.809 0.337 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.557 HG21 ' CD2' ' A' ' 9' ' ' TYR . 3.4 mp -102.83 125.85 57.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.703 HG22 HD13 ' A' ' 49' ' ' LEU . 99.0 t -98.51 151.26 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.4 m -102.55 108.68 20.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 tp -57.61 104.35 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.4 mt -83.62 -55.75 6.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -134.63 138.63 44.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -73.96 165.3 25.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.423 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 13.6 t70 -102.12 161.51 13.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.586 ' O ' ' N ' ' A' ' 41' ' ' ASP . 2.7 m -52.05 163.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 39' ' ' CYS . 23.8 mt -33.28 -29.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 39' ' ' CYS . 17.5 m-20 -69.17 124.53 24.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 43' ' ' GLY . 82.6 t -89.32 153.69 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.426 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 118.4 -13.3 12.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.52 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.667 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 76.2 m95 -126.12 149.77 48.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.735 0.302 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.667 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 9.9 m0 -166.4 159.59 14.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -117.77 136.99 53.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.471 ' HA3' ' CG1' ' A' ' 32' ' ' VAL . . . -153.94 173.05 32.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.519 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -110.01 128.41 55.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.379 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.703 HD13 HG22 ' A' ' 32' ' ' VAL . 12.2 tp -144.09 116.51 8.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 m120 62.24 42.06 9.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.94 43.62 97.21 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -141.37 130.08 22.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.323 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -108.46 106.22 16.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.431 ' CA ' ' O ' ' A' ' 22' ' ' ASP . . . -153.22 166.11 31.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 36.0 m -79.16 158.91 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.36 . . . . 0.0 111.187 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.434 ' C ' ' CD1' ' A' ' 56' ' ' PHE . 6.2 p90 -155.83 152.84 24.82 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.659 0.742 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.418 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 54.2 Cg_endo -69.74 106.88 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.682 2.255 . . . . 0.0 112.351 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.472 ' CG ' ' CZ3' ' A' ' 45' ' ' TRP . 4.0 t0 -48.18 -48.78 34.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -43.3 -46.18 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.488 ' CD2' ' HB3' ' A' ' 14' ' ' PHE . 10.3 m-85 -57.55 -37.76 73.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.66 HG12 HG22 ' A' ' 12' ' ' VAL . 30.2 m -103.36 177.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -142.48 158.8 43.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.415 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 2.9 mm? -89.41 122.16 32.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.432 HD21 ' CB ' ' A' ' 11' ' ' LYS . 60.6 mt -80.15 143.83 33.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.967 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.5 p -113.81 -37.17 4.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -54.55 -64.9 3.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 94.7 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.704 2.269 . . . . 0.0 112.34 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.2 t -164.99 155.49 14.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.4 t -90.14 107.76 19.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.485 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 t -63.92 145.97 54.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 t -144.18 127.54 16.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.22 -71.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -114.13 150.43 34.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 110.858 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.8 p -115.63 172.55 7.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.74 158.92 30.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -66.71 114.86 5.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.346 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.425 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.8 m-85 -87.02 128.07 35.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.4 m -125.26 127.27 46.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.574 ' CB ' HD21 ' A' ' 64' ' ' LEU . 34.2 tttp -86.88 129.57 34.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.555 HG22 HG12 ' A' ' 61' ' ' VAL . 97.8 t -85.12 112.33 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.475 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -103.26 -26.85 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -112.35 122.88 35.44 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.645 0.736 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 136.18 32.36 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.564 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 80.3 t80 -138.62 139.37 38.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -107.44 111.72 24.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.47 136.98 57.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.116 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -84.85 -47.92 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -130.98 170.66 14.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -44.92 -42.64 8.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -50.34 -47.97 55.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -76.28 147.76 38.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.479 ' HG ' ' N ' ' A' ' 25' ' ' THR . 6.9 tp -104.85 150.85 24.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.479 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 19.8 m -96.6 128.15 43.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.0 pt -137.09 140.83 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -116.49 169.2 9.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -73.27 116.5 13.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.49 40.86 2.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.422 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.7 m-20 -148.23 132.86 17.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.328 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.425 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.3 mp -96.96 132.59 41.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.756 HG22 HD13 ' A' ' 49' ' ' LEU . 93.0 t -116.58 126.86 74.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.8 m -71.07 127.02 31.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tp -72.99 111.61 8.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.442 HD11 ' HB2' ' A' ' 48' ' ' GLU . 41.7 mm -78.1 -61.55 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -136.88 146.52 45.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -74.73 165.31 25.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 29.2 t70 -99.57 162.76 12.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 41' ' ' ASP . 2.4 m -51.93 162.76 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' CYS . 49.9 mm -34.29 -28.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.567 ' N ' ' O ' ' A' ' 39' ' ' CYS . 80.8 m-20 -68.87 124.78 24.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.0 t -88.71 146.62 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.33 -11.39 9.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.522 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.667 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 86.9 m95 -126.6 146.68 50.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.667 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.8 m0 -163.0 154.81 17.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -117.36 133.04 56.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.0 171.55 26.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.442 ' HB2' HD11 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -110.4 127.32 55.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.89 -179.902 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.756 HD13 HG22 ' A' ' 32' ' ' VAL . 34.1 tp -141.56 114.34 8.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 62.25 41.13 10.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.93 41.78 95.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.467 ' HA ' ' CZ ' ' A' ' 52' ' ' ARG . 1.5 mmp_? -137.44 130.7 30.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.777 0.322 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.0 mtm-85 -109.65 110.93 22.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.13 162.86 31.62 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.0 m -79.38 165.58 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 56' ' ' PHE . 4.9 p90 -165.99 153.16 9.1 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.676 0.75 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 111.97 2.96 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.707 2.271 . . . . 0.0 112.345 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.555 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.7 t0 -50.05 -46.62 53.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.832 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -45.74 -43.09 12.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.564 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 5.7 m-85 -59.92 -37.43 79.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.555 HG12 HG22 ' A' ' 12' ' ' VAL . 18.1 m -103.34 174.99 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.9 ttmm -138.65 153.36 48.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.944 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.638 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.1 mm? -89.01 106.77 18.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.574 HD21 ' CB ' ' A' ' 11' ' ' LYS . 15.1 mt -75.57 154.97 36.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.1 p -88.78 -49.96 6.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.29 75.3 0.38 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.5 3.47 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.642 2.228 . . . . 0.0 112.353 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.7 m -49.7 -44.53 48.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.8 m 56.44 42.26 27.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -88.0 -50.88 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.8 p -86.09 127.66 34.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.18 104.56 3.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 p -48.45 -45.17 36.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.896 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.8 p -62.58 -55.11 30.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.84 122.73 30.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -101.64 147.49 26.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.617 ' CD2' HG21 ' A' ' 31' ' ' ILE . 3.4 m-85 -88.17 125.15 34.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.8 m -121.29 126.64 50.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -83.92 129.1 34.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.472 HG21 ' HB ' ' A' ' 26' ' ' ILE . 94.0 t -87.38 107.77 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.167 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.799 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.97 -32.24 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.427 ' N ' HG12 ' A' ' 13' ' ' ILE . 49.1 m-85 -103.76 124.75 36.75 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.659 0.743 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 128.54 16.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.493 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 72.2 t80 -130.04 153.58 48.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -121.86 115.03 21.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.49 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -56.74 137.66 54.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.447 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 27.5 tp60 -78.52 -45.56 21.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -144.87 175.35 10.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -40.57 -37.85 0.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.85 -46.22 90.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' CD ' ' HB3' ' A' ' 19' ' ' GLN . 33.5 mt-10 -74.23 144.14 44.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.532 HD11 ' HB3' ' A' ' 49' ' ' LEU . 5.8 tp -104.46 150.4 24.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.472 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 90.8 m -97.77 136.32 38.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.472 ' HB ' HG21 ' A' ' 12' ' ' VAL . 22.7 pt -142.79 134.09 24.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.471 ' HD3' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -116.32 153.12 32.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -57.77 109.83 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.72 40.27 0.86 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.409 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.5 m-20 -154.12 136.31 14.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.617 HG21 ' CD2' ' A' ' 9' ' ' TYR . 3.8 mp -98.4 137.17 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.171 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.429 HG22 HD13 ' A' ' 49' ' ' LEU . 49.5 t -119.93 122.04 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.3 m -70.67 114.71 9.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' A' ' 45' ' ' TRP . 8.0 tp -62.52 110.23 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.3 mm -76.65 -58.55 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -137.59 143.96 41.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.8 mttp -74.75 164.7 26.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.431 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 11.7 t70 -98.95 161.57 13.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.581 ' O ' ' N ' ' A' ' 41' ' ' ASP . 95.4 m -52.02 163.15 0.38 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 39' ' ' CYS . 28.0 mt -33.05 -30.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 39' ' ' CYS . 1.8 m-20 -69.27 124.5 24.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 43' ' ' GLY . 66.4 t -89.39 153.19 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.413 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 120.0 -15.85 10.21 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.67 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 76.1 m95 -123.57 150.93 43.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.745 0.307 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.67 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.2 m0 -166.53 152.57 8.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -116.01 132.67 56.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.07 169.04 26.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -108.21 125.32 51.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.899 0.381 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.532 ' HB3' HD11 ' A' ' 24' ' ' LEU . 15.3 tp -136.87 120.21 16.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 52.81 41.1 31.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.8 42.2 80.06 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -136.64 126.99 26.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.331 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.1 mtm-85 -109.46 107.75 18.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.89 160.66 29.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.467 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.9 m -79.59 152.04 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 111.135 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -151.28 152.87 31.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.412 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 53.8 Cg_endo -69.75 112.75 3.16 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.553 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 1.3 t0 -52.33 -49.53 64.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -42.04 -40.36 2.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.493 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 7.4 m-85 -65.09 -36.89 85.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.483 HG22 ' HA ' ' A' ' 58' ' ' ASP . 13.2 m -102.85 174.39 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.096 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -139.98 155.81 46.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.574 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.7 mm? -89.29 121.04 31.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.5 mt -77.3 113.34 14.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.3 t 57.23 42.11 25.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.822 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.33 89.49 0.38 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 113.34 3.34 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.649 2.233 . . . . 0.0 112.365 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.4 t -131.11 137.54 49.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.3 m -84.21 150.83 25.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.953 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.4 m -59.21 -46.97 87.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 0.0 110.865 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 m 61.77 42.74 10.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.92 159.11 27.61 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -126.28 131.06 51.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.881 0.372 . . . . 0.0 110.897 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 t -107.43 144.33 34.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.96 178.36 42.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -121.3 115.82 23.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.504 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.9 m-85 -87.66 142.29 27.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.7 m -139.11 126.21 21.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -87.82 130.48 34.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 30' ' ' ASP . 76.5 t -82.44 111.7 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.547 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.81 -28.23 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.434 ' N ' HG12 ' A' ' 13' ' ' ILE . 11.2 m-85 -111.67 126.68 28.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 120.54 7.31 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.325 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.559 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 76.5 t80 -122.91 142.91 50.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -116.47 114.98 24.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.27 134.4 53.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -88.09 -39.89 14.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -129.43 156.28 44.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -39.65 -37.53 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.85 -50.35 70.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -67.66 153.96 42.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.449 ' HG ' ' N ' ' A' ' 25' ' ' THR . 7.7 tp -108.57 150.57 27.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.561 ' O ' HD23 ' A' ' 49' ' ' LEU . 99.2 m -92.73 130.19 38.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.62 HG22 HD22 ' A' ' 49' ' ' LEU . 40.3 pt -139.7 140.7 36.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.55 149.18 47.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -54.67 114.65 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.32 39.4 1.24 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.526 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.9 m-20 -153.59 130.9 11.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.83 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.504 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.5 mp -94.43 125.61 47.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.756 HG22 HD13 ' A' ' 49' ' ' LEU . 84.8 t -106.21 126.7 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.6 m -74.42 118.13 17.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.6 tp -66.99 112.77 4.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.4 mm -79.43 -60.73 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -137.54 146.8 44.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -74.87 165.87 24.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 14.3 t70 -98.2 162.2 13.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.545 ' O ' ' N ' ' A' ' 41' ' ' ASP . 79.8 m -51.93 162.8 0.4 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.473 ' C ' ' O ' ' A' ' 39' ' ' CYS . 72.5 mt -32.07 -33.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.545 ' N ' ' O ' ' A' ' 39' ' ' CYS . 37.5 m-20 -68.19 124.66 24.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 43' ' ' GLY . 78.4 t -88.17 154.7 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.44 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 119.21 -18.75 10.22 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.664 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 75.8 m95 -120.95 146.56 46.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.706 0.288 . . . . 0.0 110.943 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.664 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 11.2 m0 -161.64 152.12 17.55 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -114.51 137.65 51.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -153.16 163.85 30.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -100.71 129.33 46.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.861 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.756 HD13 HG22 ' A' ' 32' ' ' VAL . 29.0 tp -143.75 114.7 7.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.6 m120 62.13 42.62 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.63 38.03 95.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.537 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.0 mtp85 -136.2 131.18 34.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.775 0.322 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -110.12 110.62 21.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.48 166.11 32.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.505 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.2 m -83.25 163.47 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 111.157 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 56' ' ' PHE . 8.3 p90 -164.44 152.92 11.09 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.665 0.745 . . . . 0.0 110.837 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 53.5 Cg_endo -69.82 118.47 5.7 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.628 2.219 . . . . 0.0 112.339 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.556 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 1.7 t0 -57.2 -32.81 66.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -57.11 -33.11 67.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.559 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 16.7 m-85 -78.34 -1.9 35.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.446 HG22 ' HA ' ' A' ' 58' ' ' ASP . 33.1 m -139.01 174.81 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -144.01 154.38 43.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.612 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.3 mm? -87.77 114.73 24.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.4 mt -74.77 111.07 9.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.8 m -83.62 159.9 21.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.414 ' HA3' ' HD2' ' A' ' 67' ' ' PRO . . . 152.07 -137.95 6.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.414 ' HD2' ' HA3' ' A' ' 66' ' ' GLY . 53.8 Cg_endo -69.76 -14.29 35.89 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.692 2.261 . . . . 0.0 112.349 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.1 p -63.49 127.29 30.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -157.32 154.05 28.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -87.02 138.86 31.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.9 m -133.52 128.51 35.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.547 ' CB ' HD21 ' A' ' 64' ' ' LEU . 52.1 tttm -87.78 129.06 35.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 27' ' ' LYS . 82.4 t -85.68 119.95 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.802 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -113.07 -24.62 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -112.82 125.99 29.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.664 0.745 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 132.39 23.37 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.677 2.251 . . . . 0.0 112.413 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.492 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 59.3 t80 -129.7 157.73 41.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.963 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -130.18 105.06 7.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.496 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -58.19 123.72 16.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.079 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -76.03 -43.96 41.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -124.35 166.3 16.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -44.83 -47.25 11.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.461 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 15.6 m-20 -47.08 -49.02 22.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.496 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 19.7 mt-10 -72.16 142.8 49.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.9 tp -103.21 143.29 32.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.7 m -90.8 117.37 29.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.1 pt -125.11 145.65 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.496 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 22.0 mmtp -116.43 167.73 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -75.61 118.61 18.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.08 34.02 3.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -143.39 144.31 32.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.573 HD12 ' N ' ' A' ' 31' ' ' ILE . 3.3 mp -102.74 136.9 32.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.691 HG22 HD13 ' A' ' 49' ' ' LEU . 96.0 t -121.01 126.54 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.3 m -74.35 115.98 14.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.5 tp -65.09 113.72 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.6 mm -79.19 -59.88 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -137.95 143.84 40.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -74.59 165.34 25.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 10.5 t0 -98.42 161.54 13.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.572 ' O ' ' N ' ' A' ' 41' ' ' ASP . 17.6 m -51.98 163.03 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.744 ' H ' HD12 ' A' ' 40' ' ' ILE . 4.4 mp -32.73 -31.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.572 ' N ' ' O ' ' A' ' 39' ' ' CYS . 40.3 m-20 -69.32 124.56 24.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 43' ' ' GLY . 60.8 t -88.82 153.82 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.426 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 119.4 -16.84 10.53 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.473 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.66 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 70.5 m95 -124.29 145.38 49.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.768 0.318 . . . . 0.0 110.93 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.66 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 11.2 m0 -161.16 154.83 22.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -116.72 133.44 56.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.69 170.13 27.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -109.78 126.33 53.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.895 0.378 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.691 HD13 HG22 ' A' ' 32' ' ' VAL . 26.7 tp -143.98 126.53 15.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 56.69 42.52 26.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.99 50.01 72.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -142.51 160.96 39.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -135.98 108.36 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.461 ' CA ' ' O ' ' A' ' 22' ' ' ASP . . . -155.9 165.9 32.79 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.1 m -83.06 162.98 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -161.41 153.1 16.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.633 0.73 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 54.4 Cg_endo -69.7 107.98 1.97 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.38 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.543 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.2 t0 -46.96 -47.79 21.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.835 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -44.12 -46.93 8.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.492 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 6.7 m-85 -56.04 -38.39 70.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.0 m -103.07 177.55 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -143.1 156.45 44.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.543 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.9 mm? -90.67 126.59 36.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.547 HD21 ' CB ' ' A' ' 11' ' ' LYS . 29.4 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.846 0.355 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.468 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.8 m-85 -88.03 139.04 30.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.404 ' SG ' HD13 ' A' ' 63' ' ' LEU . 60.3 m -136.45 123.08 21.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -85.21 129.96 34.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 30' ' ' ASP . 88.2 t -80.31 114.31 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.416 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -99.21 -30.93 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -113.49 131.62 22.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 133.52 25.84 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.456 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 51.8 t80 -130.43 137.05 49.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.936 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.35 105.35 13.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -54.73 123.11 12.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -77.57 -43.44 31.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -125.62 159.44 32.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.57 -52.62 2.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -41.45 -52.01 3.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.424 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 1.7 mp0 -65.01 152.22 43.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.5 tp -111.64 135.53 52.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.2 m -82.54 130.33 35.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.55 HG22 HD22 ' A' ' 49' ' ' LEU . 42.9 pt -140.11 137.65 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -110.69 164.13 13.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -68.89 110.77 4.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.47 38.17 1.37 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.455 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.3 m-20 -145.04 127.97 16.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.742 0.306 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.468 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.4 mp -90.43 136.76 23.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.454 HG22 HD13 ' A' ' 49' ' ' LEU . 90.0 t -119.67 124.1 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.6 m -72.56 113.06 9.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.175 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 tp -58.5 106.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.824 HD11 ' HB2' ' A' ' 48' ' ' GLU . 42.2 mm -73.82 -59.45 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -142.68 146.02 33.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -73.45 165.06 25.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 44' ' ' TRP . 18.9 t70 -95.71 161.56 13.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.59 ' O ' ' N ' ' A' ' 41' ' ' ASP . 36.2 m -52.01 163.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.712 ' H ' HD12 ' A' ' 40' ' ' ILE . 4.6 mp -32.67 -30.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -69.24 124.42 23.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.853 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.6 t -90.16 151.62 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.29 -15.09 9.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.447 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.669 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 69.3 m95 -125.89 153.23 44.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.314 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.669 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.4 m0 -164.1 155.39 15.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.955 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -116.03 139.19 50.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.3 163.51 29.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.824 ' HB2' HD11 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -105.77 121.7 44.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.92 0.391 . . . . 0.0 110.887 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.55 HD22 HG22 ' A' ' 26' ' ' ILE . 43.5 tp -135.33 116.33 14.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 56.56 41.28 28.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.3 44.63 74.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -138.99 125.51 20.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 -107.79 107.47 18.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.53 165.93 31.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.525 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.8 m -85.51 158.87 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 111.137 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.419 ' C ' ' CD1' ' A' ' 56' ' ' PHE . 4.3 p90 -158.07 151.76 19.39 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.71 0.767 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.495 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 53.6 Cg_endo -69.73 117.89 5.35 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.664 2.242 . . . . 0.0 112.383 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.585 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -54.49 -24.77 21.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -65.37 -31.81 73.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.495 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 13.7 m-85 -80.24 -3.18 48.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.423 HG12 HG22 ' A' ' 12' ' ' VAL . 34.4 m -136.83 175.73 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -145.83 150.02 35.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.562 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.1 mm? -86.18 121.56 28.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.6 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.855 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -88.58 150.32 23.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.935 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.0 m -144.68 120.34 10.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -85.57 129.68 34.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 30' ' ' ASP . 90.2 t -82.74 115.38 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.463 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -102.01 -28.19 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -111.13 131.26 22.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.646 0.736 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 131.93 22.26 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.718 2.278 . . . . 0.0 112.322 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.567 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 78.8 t80 -148.18 121.0 8.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.605 ' HA ' HG23 ' A' ' 25' ' ' THR . 8.0 pt-20 -97.2 126.59 42.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.526 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -58.21 130.1 45.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.478 ' HG3' ' N ' ' A' ' 20' ' ' ASN . 8.1 pt20 -76.38 -40.47 50.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.478 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 71.5 m-80 -135.4 163.02 30.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -38.48 -51.22 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.466 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 35.0 t0 -45.31 -57.16 4.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.475 ' OE1' ' CG ' ' A' ' 19' ' ' GLN . 3.4 mp0 -58.74 167.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.526 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 3.5 tp -123.54 129.29 50.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.605 HG23 ' HA ' ' A' ' 17' ' ' GLU . 1.2 m -78.03 116.41 18.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 29.9 pt -123.53 143.3 37.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -116.24 162.39 17.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -70.86 115.78 10.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.8 40.52 2.14 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 12' ' ' VAL . 16.4 m-20 -148.13 133.15 18.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.43 HD12 ' N ' ' A' ' 31' ' ' ILE . 4.2 mp -88.24 147.64 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.3 t -130.4 120.97 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 84.9 m -70.3 108.88 4.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.1 tp -58.32 105.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.7 mm -70.68 -63.01 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -141.57 139.98 33.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -65.98 165.32 13.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 44' ' ' TRP . 20.5 t70 -94.16 161.89 14.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.585 ' O ' ' N ' ' A' ' 41' ' ' ASP . 99.8 m -52.03 163.27 0.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.9 OUTLIER -32.05 -31.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.585 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -69.23 124.6 24.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.476 HG12 ' N ' ' A' ' 43' ' ' GLY . 75.2 t -89.39 156.03 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.476 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 116.7 -16.07 14.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.547 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.662 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 66.8 m95 -125.77 151.0 47.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.782 0.325 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.662 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.9 m0 -161.71 154.25 20.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -114.35 140.91 48.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.98 170.46 31.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.442 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -113.72 123.85 50.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.438 ' HB3' HD11 ' A' ' 24' ' ' LEU . 26.7 tp -144.07 118.6 9.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 62.3 41.06 10.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.38 45.81 94.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -143.0 131.18 21.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.835 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -112.92 105.76 13.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.466 ' CA ' ' O ' ' A' ' 22' ' ' ASP . . . -149.44 166.08 29.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.7 m -82.9 161.18 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.416 ' HE1' HG21 ' A' ' 61' ' ' VAL . 10.5 p90 -161.66 152.02 14.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.611 0.719 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.509 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 54.2 Cg_endo -69.76 119.38 6.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -56.06 -24.27 38.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -65.24 -29.01 69.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 32.1 m-85 -84.05 -1.07 54.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' A' ' 58' ' ' ASP . 21.4 m -137.62 175.55 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -145.53 149.78 35.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.578 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.1 mm? -86.82 114.53 23.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.896 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.706 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.8 m-85 -91.0 127.54 36.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.4 m -125.25 122.26 36.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -84.67 129.6 34.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 30' ' ' ASP . 70.4 t -83.85 114.27 24.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.136 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.758 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -98.42 -32.22 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -112.13 127.47 26.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.677 0.751 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 131.38 21.04 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.566 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 66.1 t80 -127.49 155.65 43.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -124.21 113.4 18.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.39 106.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -67.12 -40.4 86.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -119.49 176.15 5.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -58.57 -55.0 40.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.424 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 12.4 m-20 -47.52 -45.84 26.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -58.0 148.95 24.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.5 tp -110.43 144.5 39.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.5 m -89.92 121.54 32.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.9 pt -129.62 151.75 36.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -130.46 154.15 48.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -59.7 110.05 1.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.14 41.66 0.81 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.476 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.478 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.3 m-20 -153.34 123.52 7.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.781 0.324 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.706 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.0 mp -85.88 124.67 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.948 HG22 HD13 ' A' ' 49' ' ' LEU . 69.7 t -106.44 125.5 62.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.4 m -75.98 115.21 15.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.9 tp -60.15 113.36 2.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.819 HD11 ' HB2' ' A' ' 48' ' ' GLU . 36.5 mm -81.36 -59.73 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -138.2 135.95 36.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -67.34 165.16 16.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.433 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 27.5 t70 -99.37 161.55 13.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 41' ' ' ASP . 68.1 m -52.01 162.99 0.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.46 ' C ' ' O ' ' A' ' 39' ' ' CYS . 46.1 mm -33.08 -30.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 39' ' ' CYS . 73.7 m-20 -69.24 124.58 24.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -88.97 150.0 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 57' ' ' PRO . . . 121.94 -12.85 9.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.478 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.674 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 77.1 m95 -126.17 148.8 49.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.727 0.299 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.674 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.3 m0 -165.24 152.49 10.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.435 ' HG3' ' C ' ' A' ' 54' ' ' GLY . 10.4 tt0 -117.95 128.02 54.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.39 172.86 21.97 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.819 ' HB2' HD11 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -112.3 123.2 49.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.859 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.948 HD13 HG22 ' A' ' 32' ' ' VAL . 7.4 tp -142.28 127.22 18.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 54.49 41.65 31.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.83 46.34 94.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -141.91 137.65 31.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -114.88 111.48 21.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.435 ' C ' ' HG3' ' A' ' 46' ' ' GLU . . . -154.93 164.94 32.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.4 m -84.02 163.04 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 111.124 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -162.59 153.34 14.4 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.669 0.747 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 53.9 Cg_endo -69.77 110.21 2.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.34 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.552 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 1.6 t0 -48.49 -34.23 10.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -56.04 -34.63 66.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.566 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 8.8 m-85 -76.46 -0.07 21.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.9 m -140.58 173.65 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -144.22 151.97 40.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.525 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.1 mm? -86.29 111.66 20.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 23.0 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.853 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -89.45 148.46 23.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.448 ' SG ' HD13 ' A' ' 63' ' ' LEU . 64.6 m -145.52 123.83 12.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -87.92 132.43 34.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.625 HG21 ' HB ' ' A' ' 26' ' ' ILE . 48.8 t -81.6 118.91 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.487 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -100.43 -20.94 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.163 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.448 ' HB3' ' CD2' ' A' ' 60' ' ' PHE . 9.1 m-85 -125.17 131.84 24.17 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.641 0.734 . . . . 0.0 110.853 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 116.17 4.43 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.572 ' CE2' ' HG3' ' A' ' 57' ' ' PRO . 53.8 t80 -119.97 117.7 28.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -92.87 124.86 37.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.524 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -68.97 142.5 54.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -92.87 -44.79 8.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -122.64 164.32 18.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -41.98 -51.72 4.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -46.39 -56.37 5.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.524 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 35.0 mt-10 -57.66 148.73 23.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 tp -112.13 144.79 40.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.421 ' O ' HD23 ' A' ' 49' ' ' LEU . 89.7 m -92.07 129.76 37.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.625 ' HB ' HG21 ' A' ' 12' ' ' VAL . 20.1 pt -132.22 125.17 53.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.5 171.8 9.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.62 104.82 13.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.56 33.84 2.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.531 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.538 ' O ' HG23 ' A' ' 12' ' ' VAL . 10.2 m-20 -131.48 128.33 39.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mp -85.32 135.9 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.407 HG22 HD13 ' A' ' 49' ' ' LEU . 84.6 t -121.05 130.17 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 62.5 m -76.39 114.38 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.6 tp -63.42 109.5 1.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.604 HD11 ' HB2' ' A' ' 48' ' ' GLU . 46.8 mm -74.92 -62.03 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -140.71 146.85 38.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -70.56 165.37 22.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.438 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 31.6 t70 -94.84 162.15 13.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.569 ' O ' ' N ' ' A' ' 41' ' ' ASP . 7.4 m -52.01 162.41 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.459 ' C ' ' O ' ' A' ' 39' ' ' CYS . 49.7 mt -32.73 -31.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.569 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -69.04 124.63 24.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.6 t -88.42 150.05 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.71 -13.28 9.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.68 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 74.2 m95 -126.4 153.76 44.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.742 0.306 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.68 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.5 m0 -164.67 154.31 13.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -114.68 141.07 48.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -153.69 166.64 31.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.604 ' HB2' HD11 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -108.72 123.15 48.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.862 0.363 . . . . 0.0 110.932 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 25' ' ' THR . 44.2 tp -140.48 113.69 8.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.5 m120 64.15 39.39 7.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.4 45.47 85.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.526 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -140.78 126.09 18.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.88 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -107.61 105.81 15.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -151.08 165.99 30.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.442 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.9 m -84.53 160.95 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.858 0.361 . . . . 0.0 111.114 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.543 ' HE1' HG21 ' A' ' 61' ' ' VAL . 10.2 p90 -161.53 152.55 15.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.738 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.572 ' HG3' ' CE2' ' A' ' 16' ' ' TYR . 54.3 Cg_endo -69.73 118.29 5.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.26 . . . . 0.0 112.337 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -52.6 -34.56 51.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -54.84 -31.95 59.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.556 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 34.8 m-85 -82.29 11.36 5.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.543 HG21 ' HE1' ' A' ' 56' ' ' PHE . 34.0 m -152.62 173.52 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -143.67 150.0 38.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.566 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.0 mm? -86.42 117.93 25.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.7 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.892 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.823 0.345 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.621 ' CD2' HG21 ' A' ' 31' ' ' ILE . 3.3 m-85 -90.08 139.95 30.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.5 m -131.91 124.83 30.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -85.27 129.31 34.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 30' ' ' ASP . 88.1 t -82.6 110.61 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.664 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.35 -31.26 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -109.26 128.26 25.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.659 0.743 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 139.06 39.12 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.652 2.235 . . . . 0.0 112.304 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -145.01 128.27 16.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -101.52 107.57 18.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.24 108.55 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -68.0 -41.38 82.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.59 154.1 27.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -49.69 -40.23 39.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.07 -48.0 71.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -64.58 156.54 29.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 tp -110.34 134.26 52.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.1 m -80.7 123.47 28.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.166 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.516 HG22 HD22 ' A' ' 49' ' ' LEU . 30.0 pt -130.4 138.51 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 mmtm -116.78 157.78 24.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -62.69 117.88 6.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.84 38.81 2.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.571 ' O ' HG23 ' A' ' 12' ' ' VAL . 10.6 m-20 -147.69 131.6 17.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.621 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.2 mp -95.44 136.82 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.48 HG22 HD13 ' A' ' 49' ' ' LEU . 57.0 t -119.02 123.72 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.3 m -69.25 119.98 14.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 tp -68.12 106.06 2.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.1 mm -75.78 -61.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -137.19 142.58 42.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -71.19 165.11 24.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.442 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 30.5 t70 -96.91 161.42 13.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.56 ' O ' ' N ' ' A' ' 41' ' ' ASP . 78.9 m -51.94 162.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 39' ' ' CYS . 63.1 mt -32.38 -31.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' A' ' 39' ' ' CYS . 65.9 m-20 -69.17 124.62 24.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 43' ' ' GLY . 79.4 t -88.27 156.31 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.474 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 116.53 -15.95 14.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.54 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.67 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 75.9 m95 -123.34 150.64 43.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.761 0.315 . . . . 0.0 110.91 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.67 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.5 m0 -165.14 152.23 10.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -114.2 136.26 53.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.418 ' HA3' HG12 ' A' ' 32' ' ' VAL . . . -153.5 166.66 31.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -100.48 129.83 46.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.516 HD22 HG22 ' A' ' 26' ' ' ILE . 54.5 tp -144.11 119.76 10.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 59.77 47.56 10.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.83 38.53 92.46 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -133.17 158.9 41.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.63 108.08 9.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.36 163.1 31.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.8 m -82.97 160.77 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.38 . . . . 0.0 111.098 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.552 ' CE1' HG21 ' A' ' 61' ' ' VAL . 10.5 p90 -157.38 152.94 22.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.651 0.739 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.41 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 53.9 Cg_endo -69.8 110.38 2.55 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.345 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.544 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.2 t0 -49.86 -51.15 42.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -40.74 -43.34 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -63.18 -35.83 81.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.552 HG21 ' CE1' ' A' ' 56' ' ' PHE . 33.2 m -102.93 175.05 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -141.68 155.17 45.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.57 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.0 mm? -89.76 117.04 28.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 71.5 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.884 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.815 0.341 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -87.43 143.56 27.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.7 m -141.2 120.5 13.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -84.71 130.52 34.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.9 t -83.43 110.61 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.662 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -95.92 -28.07 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.4 ' HB3' ' CD2' ' A' ' 60' ' ' PHE . 34.1 m-85 -113.71 128.68 25.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.678 0.751 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 136.08 32.15 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -152.27 113.78 4.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.835 ' HA ' HG23 ' A' ' 25' ' ' THR . 6.2 pt-20 -92.09 127.32 37.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.936 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.406 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -62.58 130.89 47.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.401 ' HG3' ' N ' ' A' ' 20' ' ' ASN . 2.6 pt20 -78.55 -37.0 43.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 21' ' ' ASP . 3.5 m-80 -128.46 150.28 50.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 20' ' ' ASN . 22.5 m-20 -34.14 -46.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -46.51 -58.84 3.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.53 ' OE1' HG23 ' A' ' 55' ' ' VAL . 3.6 mm-40 -62.86 154.36 30.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.509 HD11 ' HB3' ' A' ' 49' ' ' LEU . 6.5 tp -108.28 127.58 53.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.835 HG23 ' HA ' ' A' ' 17' ' ' GLU . 11.6 m -76.49 105.67 7.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.094 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.4 pt -106.57 141.31 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.136 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -118.61 160.86 21.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -67.54 122.76 18.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.77 40.94 3.97 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -146.32 117.86 8.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.323 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 31' ' ' ILE . 4.0 mp -82.28 119.13 31.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.514 HG22 HD13 ' A' ' 49' ' ' LEU . 99.6 t -98.66 128.67 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.8 m -77.61 109.65 11.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -58.45 107.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.536 HD11 ' HB2' ' A' ' 48' ' ' GLU . 44.7 mm -75.49 -60.94 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -141.66 146.48 36.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -71.7 165.25 24.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -94.74 161.16 14.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.588 ' O ' ' N ' ' A' ' 41' ' ' ASP . 7.1 t -51.98 163.43 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 39' ' ' CYS . 29.0 mm -32.46 -31.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' A' ' 39' ' ' CYS . 64.1 m-20 -69.26 124.32 23.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 t -89.87 151.88 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.0 -14.43 9.6 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.552 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.678 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 68.8 m95 -126.03 156.57 39.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.769 0.319 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.678 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.1 m0 -166.03 153.66 10.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -114.48 140.74 48.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.93 172.6 31.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.536 ' HB2' HD11 ' A' ' 35' ' ' ILE . 8.2 tt0 -114.92 127.2 55.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.514 HD13 HG22 ' A' ' 32' ' ' VAL . 16.4 tp -141.42 119.24 11.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.8 m120 54.29 40.47 31.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.47 46.92 60.42 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 59.5 mtt85 -139.21 125.36 20.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -108.66 107.3 17.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.03 163.92 32.08 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.53 HG23 ' OE1' ' A' ' 23' ' ' GLU . 34.6 m -80.31 166.58 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.853 0.359 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -167.27 152.21 6.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.671 0.748 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 122.0 8.69 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.585 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -59.52 -39.54 84.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.464 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 0.8 OUTLIER -51.32 -24.09 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.436 ' C ' HG13 ' A' ' 61' ' ' VAL . 16.8 m-85 -89.06 18.03 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 58' ' ' ASP . 18.9 m -158.26 177.39 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -145.05 145.75 31.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.514 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.4 mm? -82.49 120.47 25.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.6 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.906 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.791 0.329 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.404 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.8 m-85 -87.09 136.78 32.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.8 m -134.0 124.77 26.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -84.95 130.33 34.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.524 HG21 ' HB ' ' A' ' 26' ' ' ILE . 97.4 t -83.46 110.54 18.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.756 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -94.33 -32.94 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.423 ' N ' HG12 ' A' ' 13' ' ' ILE . 48.8 m-85 -109.22 128.85 24.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.743 . . . . 0.0 110.853 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.421 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 53.9 Cg_endo -69.77 128.61 16.27 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.395 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.544 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 23.0 t80 -131.12 137.61 49.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -112.14 111.2 21.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.497 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -55.82 112.7 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -59.14 -43.26 92.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -131.28 173.1 11.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 22' ' ' ASP . 3.5 p-10 -46.81 -60.0 2.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -36.03 -52.64 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.43 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 40.2 mp0 -67.44 147.95 52.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.497 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 7.6 tp -102.62 149.36 24.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.447 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 19.6 m -95.32 123.32 38.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.524 ' HB ' HG21 ' A' ' 12' ' ' VAL . 31.2 pt -129.1 133.49 65.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -108.1 174.07 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.421 ' CG ' ' HD3' ' A' ' 15' ' ' PRO . 51.9 mt-10 -77.11 117.26 18.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.831 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.2 40.7 3.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.439 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.1 m-20 -144.73 126.63 15.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.75 0.309 . . . . 0.0 110.847 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.404 HG21 ' CD2' ' A' ' 9' ' ' TYR . 5.2 mp -90.76 135.75 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.75 HG22 HD13 ' A' ' 49' ' ' LEU . 60.3 t -113.88 125.88 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.2 m -72.02 110.52 6.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.4 tp -59.34 109.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.658 HD11 ' HB2' ' A' ' 48' ' ' GLU . 32.1 mm -76.92 -62.16 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.133 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -140.67 144.71 35.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -70.29 165.43 22.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 17.5 t70 -95.37 162.63 13.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.58 ' O ' ' N ' ' A' ' 41' ' ' ASP . 84.3 m -51.95 163.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.714 ' H ' HD12 ' A' ' 40' ' ' ILE . 4.7 mp -32.91 -30.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' A' ' 39' ' ' CYS . 79.2 m-20 -69.34 124.67 24.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 t -89.47 149.01 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.48 -13.9 8.77 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.66 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 72.6 m95 -126.69 150.2 49.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.773 0.32 . . . . 0.0 110.919 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.66 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 11.1 m0 -160.91 155.15 23.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -115.74 142.35 46.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.0 172.94 31.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.541 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.658 ' HB2' HD11 ' A' ' 35' ' ' ILE . 8.4 tt0 -116.17 128.38 55.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.75 HD13 HG22 ' A' ' 32' ' ' VAL . 12.0 tp -144.01 112.92 6.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 61.02 46.48 8.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.95 39.82 98.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.5 mmt-85 -132.61 133.92 44.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.819 0.342 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 17.2 mtm105 -115.61 109.97 18.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.43 163.37 30.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.5 m -85.98 158.2 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -157.66 149.83 17.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.647 0.736 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.534 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 53.8 Cg_endo -69.74 120.81 7.54 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.638 2.225 . . . . 0.0 112.356 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -55.46 -31.36 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -59.14 -27.75 65.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.544 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 23.7 m-85 -83.86 -4.76 58.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.523 HG22 ' HA ' ' A' ' 58' ' ' ASP . 17.0 m -135.89 174.79 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -143.56 149.35 37.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.498 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.0 mm? -86.81 114.13 23.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.4 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.876 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.816 0.341 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.487 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.7 m-85 -87.03 127.39 35.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.0 m -125.79 130.65 51.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.526 ' HB2' HD21 ' A' ' 64' ' ' LEU . 78.5 tttt -86.2 129.6 34.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.454 HG22 HG12 ' A' ' 61' ' ' VAL . 94.6 t -87.33 106.57 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.755 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -94.36 -34.46 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.45 ' N ' HG12 ' A' ' 13' ' ' ILE . 15.4 m-85 -106.24 129.09 25.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.678 0.751 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 140.88 43.54 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.475 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 86.4 t80 -146.8 140.33 25.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -112.74 120.75 42.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.457 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -62.16 110.25 1.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -68.99 -41.83 77.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -118.99 156.39 29.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -39.53 -55.53 1.8 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -44.65 -55.65 5.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -53.8 146.31 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.476 ' HG ' ' N ' ' A' ' 25' ' ' THR . 7.5 tp -104.72 151.1 24.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.476 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 20.0 m -95.86 113.36 24.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.443 ' HB ' HG21 ' A' ' 12' ' ' VAL . 29.9 pt -121.3 145.77 27.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -123.72 158.97 30.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -66.99 116.9 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.98 42.5 1.93 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -154.16 137.18 15.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.726 0.298 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.487 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.7 mp -96.11 141.68 15.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.572 HG22 HD13 ' A' ' 49' ' ' LEU . 48.6 t -124.49 136.08 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.8 m -78.28 117.78 19.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 tp -64.57 114.06 4.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.788 HD11 ' HB2' ' A' ' 48' ' ' GLU . 18.1 mm -77.18 -53.95 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -151.49 150.85 30.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -75.31 165.26 25.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.442 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 31.7 t70 -98.83 161.73 13.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.845 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.578 ' O ' ' N ' ' A' ' 41' ' ' ASP . 81.0 m -51.98 163.43 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 39' ' ' CYS . 24.1 mt -33.17 -29.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.578 ' N ' ' O ' ' A' ' 39' ' ' CYS . 76.2 m-20 -69.17 124.47 23.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.5 t -89.88 147.4 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 57' ' ' PRO . . . 122.8 -11.09 8.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.678 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 84.1 m95 -126.58 150.79 48.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.759 0.314 . . . . 0.0 110.928 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.678 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.5 m0 -164.96 154.52 13.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -117.24 123.44 46.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -134.11 160.25 24.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.51 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.788 ' HB2' HD11 ' A' ' 35' ' ' ILE . 15.5 tt0 -109.26 128.54 55.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 0.0 110.856 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.572 HD13 HG22 ' A' ' 32' ' ' VAL . 5.7 tp -142.98 125.91 16.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 62.57 33.11 16.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.26 31.92 56.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.457 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 -143.19 120.69 11.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.796 0.332 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -106.56 123.46 48.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.62 166.41 31.27 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.0 m -79.04 152.34 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.523 ' CE1' HG21 ' A' ' 61' ' ' VAL . 4.5 p90 -158.84 153.32 20.47 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.681 0.753 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 53.8 Cg_endo -69.76 107.02 1.77 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.313 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.547 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.3 t0 -44.36 -51.57 8.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -37.71 -47.6 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.475 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 6.6 m-85 -58.06 -39.0 77.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.523 HG21 ' CE1' ' A' ' 56' ' ' PHE . 31.9 m -102.8 177.94 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -145.31 157.3 44.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.497 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.6 mm? -89.19 133.62 34.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.526 HD21 ' HB2' ' A' ' 11' ' ' LYS . 36.6 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.804 0.335 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -87.06 146.68 26.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.406 ' SG ' HD13 ' A' ' 63' ' ' LEU . 64.4 m -144.42 118.65 9.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.854 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -84.29 129.62 34.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.422 HG21 ' HB ' ' A' ' 26' ' ' ILE . 87.6 t -83.11 107.2 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.798 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -94.09 -32.47 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.439 ' N ' HG12 ' A' ' 13' ' ' ILE . 80.1 m-85 -107.97 123.43 37.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.645 0.735 . . . . 0.0 110.878 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 138.38 37.65 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.303 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.567 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 76.9 t80 -141.2 154.07 45.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -121.05 116.52 25.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.4 102.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 20' ' ' ASN . 1.3 pt20 -54.87 -35.9 64.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.415 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 2.3 m-80 -137.79 164.14 29.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -47.83 -41.78 24.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -50.02 -46.46 52.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.421 ' OE1' HG23 ' A' ' 55' ' ' VAL . 7.4 mm-40 -74.75 160.2 31.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 25' ' ' THR . 6.1 tp -111.85 150.56 30.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.465 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 21.6 m -90.86 130.94 36.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.186 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.422 ' HB ' HG21 ' A' ' 12' ' ' VAL . 40.0 pt -139.88 138.12 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -120.94 162.12 20.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.26 116.9 8.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.05 40.3 1.99 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.522 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -151.27 122.94 7.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.48 HD12 ' N ' ' A' ' 31' ' ' ILE . 4.5 mp -87.44 125.15 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.475 HG22 HD13 ' A' ' 49' ' ' LEU . 81.5 t -103.28 126.41 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.7 m -74.45 111.61 9.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.7 tp -60.91 107.19 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.623 HD11 ' HB2' ' A' ' 48' ' ' GLU . 47.6 mm -74.54 -61.7 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -140.35 149.01 42.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -74.03 164.43 26.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 22.7 t70 -94.06 162.45 13.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.577 ' O ' ' N ' ' A' ' 41' ' ' ASP . 4.6 t -51.99 162.95 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.461 ' C ' ' O ' ' A' ' 39' ' ' CYS . 49.3 mm -32.59 -31.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' A' ' 39' ' ' CYS . 79.8 m-20 -69.05 124.59 24.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -89.22 150.29 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.73 -13.98 9.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.673 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 76.4 m95 -126.43 151.14 48.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.756 0.312 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.68 ' CZ3' HD21 ' A' ' 63' ' ' LEU . 11.1 m0 -161.79 154.37 20.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -114.54 138.31 50.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.31 166.42 30.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.623 ' HB2' HD11 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -108.17 124.05 49.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.878 0.371 . . . . 0.0 110.918 -179.865 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.475 HD13 HG22 ' A' ' 32' ' ' VAL . 7.0 tp -141.55 111.64 6.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 66.4 40.2 3.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.13 45.5 91.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -141.13 131.75 25.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.4 mtp85 -110.54 105.97 15.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -150.48 161.26 28.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.421 HG23 ' OE1' ' A' ' 23' ' ' GLU . 27.4 m -81.61 161.43 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 111.132 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.458 ' HE1' HG21 ' A' ' 61' ' ' VAL . 8.7 p90 -160.78 152.27 16.17 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.621 0.724 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 117.6 5.18 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.587 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -54.26 -33.15 57.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -56.43 -33.56 65.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 15.9 m-85 -78.32 -2.02 36.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.458 HG21 ' HE1' ' A' ' 56' ' ' PHE . 27.2 m -138.68 176.23 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -144.96 148.8 34.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.68 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.2 mm? -84.57 111.93 19.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.7 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 179.867 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.813 ' CD2' HG21 ' A' ' 31' ' ' ILE . 3.2 m-85 -86.99 121.67 29.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 79.4 m -118.86 129.89 55.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -88.03 129.04 35.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.511 HG13 HD12 ' A' ' 26' ' ' ILE . 97.8 t -85.68 107.74 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.745 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -93.73 -33.55 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.403 ' N ' HG12 ' A' ' 13' ' ' ILE . 62.6 m-85 -106.23 122.07 43.39 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.728 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 124.36 11.02 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.637 2.225 . . . . 0.0 112.345 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.549 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 80.3 t80 -125.34 142.93 51.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -112.51 110.79 21.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.446 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -54.54 102.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.471 ' HG3' ' ND2' ' A' ' 20' ' ' ASN . 4.7 tp60 -55.52 -43.4 75.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.471 ' ND2' ' HG3' ' A' ' 19' ' ' GLN . 33.3 m-80 -126.57 172.93 9.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -53.04 -47.03 68.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.03 -55.29 4.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -66.15 156.66 33.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.446 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 4.6 tp -108.59 147.62 31.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.442 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 62.5 m -89.77 118.42 29.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.511 HD12 HG13 ' A' ' 12' ' ' VAL . 50.0 pt -126.07 140.66 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -114.63 158.24 22.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -64.34 123.83 20.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.38 41.35 4.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.456 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -141.59 133.14 26.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.813 HG21 ' CD2' ' A' ' 9' ' ' TYR . 3.9 mp -92.52 136.36 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.598 HG22 HD13 ' A' ' 49' ' ' LEU . 96.7 t -121.79 123.94 70.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.151 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.7 m -72.45 111.74 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.3 tp -59.22 106.4 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.593 HD11 ' HB2' ' A' ' 48' ' ' GLU . 45.7 mm -72.09 -62.1 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.142 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -141.41 140.05 33.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -65.73 165.28 12.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 44' ' ' TRP . 33.4 t70 -93.67 161.92 14.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.573 ' O ' ' N ' ' A' ' 41' ' ' ASP . 68.0 m -51.93 162.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.461 ' C ' ' O ' ' A' ' 39' ' ' CYS . 35.4 mm -32.3 -32.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 39' ' ' CYS . 71.4 m-20 -68.67 124.66 24.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.0 t -89.35 151.04 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.68 -15.9 9.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.665 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 58.8 m95 -126.15 155.73 41.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.733 0.301 . . . . 0.0 110.953 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.665 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.4 m0 -165.41 159.61 17.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -119.63 137.25 53.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.838 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.73 163.18 29.3 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.593 ' HB2' HD11 ' A' ' 35' ' ' ILE . 8.9 tt0 -103.67 130.24 51.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.926 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.598 HD13 HG22 ' A' ' 32' ' ' VAL . 6.3 tp -144.04 125.47 14.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 49' ' ' LEU . 9.9 p30 51.98 32.33 9.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.5 46.86 17.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -142.96 131.68 22.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -110.07 111.46 22.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.99 162.78 31.51 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.6 m -80.83 165.04 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.436 ' C ' ' CD1' ' A' ' 56' ' ' PHE . 4.5 p90 -167.11 152.82 7.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.669 0.747 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.448 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 53.4 Cg_endo -69.75 116.44 4.56 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.319 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.552 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.6 t0 -52.35 -33.93 45.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -58.41 -23.91 58.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.549 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 10.9 m-85 -86.84 2.04 50.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.503 HG12 HG22 ' A' ' 12' ' ' VAL . 35.1 m -141.62 172.53 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -136.65 152.24 50.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.91 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.588 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.9 mm? -90.96 106.13 18.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.0 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.907 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.807 0.337 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.671 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.8 m-85 -87.19 130.44 34.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.4 m -123.71 130.19 52.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.544 ' HB2' HD21 ' A' ' 64' ' ' LEU . 27.1 tttm -87.64 129.87 34.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.47 HG13 HD12 ' A' ' 26' ' ' ILE . 97.9 t -87.44 107.93 17.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.742 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -95.29 -31.81 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -108.4 121.87 42.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.668 0.747 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 135.39 30.36 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.245 . . . . 0.0 112.332 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.499 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 61.1 t80 -143.12 144.88 32.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -110.1 131.2 55.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.18 104.57 5.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 20' ' ' ASN . 6.1 pt20 -59.34 -38.11 79.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.453 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 65.5 m-80 -127.34 173.35 9.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.55 -45.64 81.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -45.74 -60.28 2.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -60.41 155.14 18.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.449 ' HG ' ' N ' ' A' ' 25' ' ' THR . 6.1 tp -108.64 148.96 29.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.449 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 63.4 m -91.63 112.1 23.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.47 HD12 HG13 ' A' ' 12' ' ' VAL . 40.3 pt -119.11 137.23 53.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 27' ' ' LYS . 1.8 mppt? -113.8 161.06 18.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -64.63 120.26 12.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.99 44.76 4.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.46 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.1 m-20 -145.3 125.41 13.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.801 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.671 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.0 mp -90.21 132.55 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.853 HG22 ' HB2' ' A' ' 49' ' ' LEU . 60.1 t -117.08 127.05 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.14 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.5 m -70.53 115.9 10.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -59.48 117.59 5.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.8 HD11 ' HB2' ' A' ' 48' ' ' GLU . 20.6 mm -80.91 -55.37 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -152.51 145.46 24.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -68.76 165.14 20.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.437 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 33.2 t70 -97.08 161.54 13.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.579 ' O ' ' N ' ' A' ' 41' ' ' ASP . 3.5 m -51.98 163.25 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.716 ' H ' HD12 ' A' ' 40' ' ' ILE . 4.6 mp -32.55 -30.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' A' ' 39' ' ' CYS . 69.1 m-20 -69.39 124.51 24.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.1 t -89.47 151.84 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.18 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 57' ' ' PRO . . . 120.39 -13.26 10.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.676 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 72.7 m95 -125.98 154.12 43.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.78 0.324 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.676 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.4 m0 -165.95 152.1 9.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -114.56 119.67 37.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -132.7 159.41 23.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.8 ' HB2' HD11 ' A' ' 35' ' ' ILE . 5.4 tt0 -109.32 129.95 55.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.893 0.378 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.853 ' HB2' HG22 ' A' ' 32' ' ' VAL . 6.2 tp -144.09 124.72 14.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.471 ' ND2' ' HG ' ' A' ' 49' ' ' LEU . 76.7 m-20 63.41 34.55 12.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.71 31.11 60.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -143.01 120.88 11.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.775 0.321 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -108.72 125.26 51.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.11 165.85 31.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.5 m -79.87 141.66 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.832 0.348 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.598 ' CE1' HG21 ' A' ' 61' ' ' VAL . 4.5 p90 -148.1 153.37 41.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.634 0.731 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 53.5 Cg_endo -69.79 106.76 1.72 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 61' ' ' VAL . 1.7 t0 -41.11 -53.04 3.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' ASP . 7.0 t-20 -37.38 -49.58 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.499 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 8.0 m-85 -55.94 -39.22 71.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.598 HG21 ' CE1' ' A' ' 56' ' ' PHE . 26.3 m -102.64 178.19 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -146.74 157.34 43.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.499 ' CD2' ' CZ3' ' A' ' 45' ' ' TRP . 3.5 mm? -89.12 126.96 35.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.544 HD21 ' HB2' ' A' ' 11' ' ' LYS . 57.5 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.823 0.344 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.448 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.7 m-85 -88.9 134.58 33.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.7 m -132.4 125.42 30.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.54 ' HB3' HD21 ' A' ' 64' ' ' LEU . 11.0 ttmm -87.36 133.01 33.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.628 HG22 HG12 ' A' ' 61' ' ' VAL . 84.3 t -87.51 118.99 34.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.765 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -106.39 -29.97 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -109.75 128.0 26.16 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 125.56 12.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.242 . . . . 0.0 112.335 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.588 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 10.3 t80 -127.7 144.23 51.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -115.1 117.55 30.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.16 104.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -63.98 -41.5 97.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 21' ' ' ASP . 7.5 m120 -118.61 136.4 53.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' ASN . 3.9 p-10 -34.37 -41.28 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -54.55 -54.78 36.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.561 ' CD ' ' CG2' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -52.83 176.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.897 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 25' ' ' THR . 3.3 tp -123.56 149.33 45.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.465 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 26.8 m -96.85 128.33 43.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.157 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.421 ' HB ' HG21 ' A' ' 12' ' ' VAL . 46.8 pt -131.49 152.44 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -131.97 161.97 31.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -59.87 126.21 26.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.86 45.53 5.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.448 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.589 ' O ' HG23 ' A' ' 12' ' ' VAL . 20.1 m-20 -146.8 111.49 5.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.77 0.319 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.448 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.5 mp -84.04 124.18 39.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.448 HG22 ' HB2' ' A' ' 49' ' ' LEU . 96.7 t -108.73 122.51 63.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.0 m -67.59 109.99 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tp -58.92 113.06 1.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.632 HD11 ' HB2' ' A' ' 48' ' ' GLU . 46.0 mm -80.18 -59.4 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -140.52 141.43 35.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -68.35 165.22 19.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 44' ' ' TRP . 15.2 t70 -97.51 161.62 13.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 41' ' ' ASP . 54.5 m -52.03 163.15 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.725 ' H ' HD12 ' A' ' 40' ' ' ILE . 4.7 mp -32.56 -30.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 39' ' ' CYS . 67.4 m-20 -69.27 124.52 24.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 43' ' ' GLY . 78.7 t -89.35 155.09 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.455 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 116.97 -13.86 14.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.662 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 67.7 m95 -126.07 153.8 43.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.704 0.288 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.672 ' CZ3' HD21 ' A' ' 63' ' ' LEU . 10.3 m0 -166.0 151.94 9.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -113.68 123.77 50.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -136.61 168.03 24.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.632 ' HB2' HD11 ' A' ' 35' ' ' ILE . 0.3 OUTLIER -109.74 123.45 49.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.903 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.448 ' HB2' HG22 ' A' ' 32' ' ' VAL . 61.2 tp -136.81 119.93 16.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 56.09 40.54 30.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.45 41.89 83.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 47.8 mtt85 -140.25 123.57 16.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.852 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -107.55 107.24 17.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -147.95 165.83 28.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.561 ' CG2' ' CD ' ' A' ' 23' ' ' GLU . 27.8 m -83.25 144.51 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.861 0.362 . . . . 0.0 111.162 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -143.87 153.25 57.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.691 0.758 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 53.8 Cg_endo -69.75 107.95 1.97 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.371 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.526 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 1.4 t0 -49.83 -48.48 50.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -43.53 -43.85 5.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.588 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 9.9 m-85 -60.4 -36.78 78.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.628 HG12 HG22 ' A' ' 12' ' ' VAL . 30.5 m -102.96 174.88 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -140.01 152.34 46.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.672 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.4 mm? -85.7 122.4 29.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 11' ' ' LYS . 54.6 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.801 0.334 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -89.14 153.44 20.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.4 m -147.32 130.97 16.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.55 ' CB ' HD21 ' A' ' 64' ' ' LEU . 38.7 tttp -91.35 129.13 37.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 30' ' ' ASP . 94.9 t -83.77 105.48 13.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.882 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -98.87 -30.25 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.419 ' N ' HG12 ' A' ' 13' ' ' ILE . 32.3 m-85 -107.59 131.46 21.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.646 0.736 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 134.51 28.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.652 2.235 . . . . 0.0 112.302 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.574 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 4.5 t80 -145.66 132.75 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -104.87 133.22 50.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.99 132.56 43.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.447 ' HG3' ' ND2' ' A' ' 20' ' ' ASN . 4.2 tp-100 -79.74 -45.68 18.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.447 ' ND2' ' HG3' ' A' ' 19' ' ' GLN . 30.5 m-80 -133.01 173.1 11.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -44.86 -44.12 9.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.489 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 1.7 m-20 -53.43 -52.31 59.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.1 mp0 -66.75 146.86 54.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.557 HD11 ' HB3' ' A' ' 49' ' ' LEU . 5.4 tp -112.16 143.06 43.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.2 m -85.54 138.01 32.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.459 ' HB ' HG21 ' A' ' 12' ' ' VAL . 32.0 pt -147.07 134.01 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.11 163.46 16.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -63.19 113.64 3.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.402 ' O ' ' OD1' ' A' ' 30' ' ' ASP . . . 108.44 36.81 2.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.472 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.651 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -143.54 124.33 14.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.419 HD12 ' N ' ' A' ' 31' ' ' ILE . 4.2 mp -91.6 131.53 38.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.467 HG22 HD13 ' A' ' 49' ' ' LEU . 62.4 t -117.12 132.1 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.8 m -80.65 112.48 18.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.5 tp -59.97 111.14 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.673 HD11 ' HB2' ' A' ' 48' ' ' GLU . 49.2 mm -77.21 -60.75 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -136.34 146.45 46.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -76.86 165.19 25.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 21.3 t70 -98.82 161.78 13.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 41' ' ' ASP . 17.6 m -52.05 163.03 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 39' ' ' CYS . 41.4 mm -32.97 -30.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -69.32 124.7 24.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.859 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 43' ' ' GLY . 71.5 t -88.83 154.44 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.088 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.44 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 118.32 -15.79 11.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.671 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 74.2 m95 -124.46 146.41 48.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.671 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.9 m0 -162.75 152.76 16.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -114.51 136.58 52.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.3 167.38 28.49 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.673 ' HB2' HD11 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -108.16 127.62 53.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.917 -179.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.557 ' HB3' HD11 ' A' ' 24' ' ' LEU . 7.0 tp -144.08 124.01 13.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 54.69 43.79 29.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.04 42.02 99.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.433 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -140.91 131.5 25.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -111.74 110.5 20.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 22' ' ' ASP . . . -151.61 163.27 29.92 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.2 m -81.25 158.6 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 111.09 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.43 ' CE1' HG21 ' A' ' 61' ' ' VAL . 5.4 p90 -157.37 152.88 22.19 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.643 0.735 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.491 ' HG3' ' CD2' ' A' ' 16' ' ' TYR . 53.6 Cg_endo -69.76 110.91 2.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.303 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.553 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 1.9 t0 -50.72 -49.45 57.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -42.18 -42.79 3.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 9.4 m-85 -62.53 -36.54 82.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.43 HG21 ' CE1' ' A' ' 56' ' ' PHE . 34.4 m -103.82 177.85 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -142.8 157.45 44.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.633 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.5 mm? -89.32 121.55 31.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.55 HD21 ' CB ' ' A' ' 11' ' ' LYS . 63.4 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.82 0.343 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -87.47 126.02 34.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.971 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.6 m -124.91 128.55 48.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.4 tttp -85.18 132.09 34.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.489 HG13 HD12 ' A' ' 26' ' ' ILE . 95.5 t -88.89 108.19 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.747 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -100.73 -27.81 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -110.78 129.74 23.64 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.633 0.73 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 139.72 41.06 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.556 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 87.6 t80 -143.04 118.18 10.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -94.55 110.16 22.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.462 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -58.91 131.69 51.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -90.57 -41.3 11.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -114.01 167.7 10.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -53.31 -45.53 69.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -53.4 -51.28 63.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.462 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 26.6 mt-10 -59.59 140.54 56.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.6 tp -101.04 144.59 29.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.9 m -92.68 111.99 23.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.489 HD12 HG13 ' A' ' 12' ' ' VAL . 34.8 pt -123.68 141.94 42.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -121.4 156.35 32.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -59.73 112.88 1.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.84 40.33 1.1 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.468 ' O ' HG23 ' A' ' 12' ' ' VAL . 5.0 m-20 -153.98 134.44 13.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.474 HD12 ' N ' ' A' ' 31' ' ' ILE . 3.3 mp -94.75 141.2 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.149 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.1 t -123.23 128.45 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.1 m -75.08 113.55 12.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -61.87 107.41 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.728 HG22 HD22 ' A' ' 36' ' ' ASN . 23.7 mm -73.17 -58.72 4.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.728 HD22 HG22 ' A' ' 35' ' ' ILE . 2.8 m-80 -148.06 149.24 31.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -69.65 165.19 21.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.417 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 33.9 t70 -91.74 162.2 14.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.577 ' O ' ' N ' ' A' ' 41' ' ' ASP . 63.0 m -51.98 162.86 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 39' ' ' CYS . 22.0 mt -32.03 -32.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' A' ' 39' ' ' CYS . 9.6 m-20 -69.17 124.48 23.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.3 t -88.57 150.65 3.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.59 -14.06 9.29 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.451 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.669 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 69.6 m95 -126.33 158.25 36.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.771 0.319 . . . . 0.0 110.914 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.669 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.5 m0 -164.1 153.41 13.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -112.87 130.02 56.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.93 160.4 27.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.521 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -108.2 120.68 43.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.916 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.9 tp -128.89 111.0 12.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 66.78 32.38 6.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.84 -23.17 18.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -84.42 121.14 27.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 53' ' ' ARG . 6.2 ttp-105 -106.71 123.92 48.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.16 164.82 32.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.5 m -79.47 159.9 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 111.09 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.421 ' C ' ' CD1' ' A' ' 56' ' ' PHE . 3.8 p90 -163.5 152.48 12.15 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.669 0.747 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.465 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 53.5 Cg_endo -69.78 119.6 6.52 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.336 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -54.64 -43.43 72.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.489 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 17.2 t-20 -48.29 -36.73 14.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.556 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 10.5 m-85 -67.18 -38.52 85.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' A' ' 58' ' ' ASP . 17.9 m -103.45 179.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -144.28 154.92 43.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.543 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.7 mm? -90.22 125.16 35.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.4 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.865 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 t70 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.404 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.7 m-85 -86.92 129.2 34.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.536 ' SG ' HD13 ' A' ' 63' ' ' LEU . 66.8 m -127.7 127.62 44.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -84.11 129.85 34.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 30' ' ' ASP . 76.7 t -87.41 106.84 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.116 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.816 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.56 -30.64 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.412 ' N ' HG12 ' A' ' 13' ' ' ILE . 20.9 m-85 -106.88 121.7 44.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.645 0.736 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 133.4 25.47 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.374 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -126.48 157.28 39.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.957 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -127.12 107.28 9.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.65 115.3 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 20' ' ' ASN . 1.9 pt20 -72.42 -34.45 67.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.465 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 4.1 m-80 -134.61 166.79 22.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -47.92 -55.55 9.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -40.29 -45.34 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -72.58 149.43 44.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 tp -107.58 140.36 40.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.4 m -92.76 137.08 32.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.718 HG22 HD22 ' A' ' 49' ' ' LEU . 25.1 pt -143.19 151.14 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.65 161.84 19.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -69.87 111.07 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.93 39.42 1.07 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.624 ' O ' HG23 ' A' ' 12' ' ' VAL . 14.3 m-20 -149.03 132.86 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.761 0.315 . . . . 0.0 110.847 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.404 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.8 mp -94.76 131.08 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.582 HG22 HD13 ' A' ' 49' ' ' LEU . 99.2 t -110.31 128.3 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.3 m -75.75 112.03 11.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.3 tp -58.49 107.49 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.813 HD11 ' HB2' ' A' ' 48' ' ' GLU . 48.0 mm -73.16 -59.23 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -144.56 144.71 31.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -70.12 165.19 22.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 44' ' ' TRP . 23.6 t70 -95.23 161.9 13.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.598 ' O ' ' N ' ' A' ' 41' ' ' ASP . 23.4 m -52.09 163.57 0.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 39' ' ' CYS . 60.1 mt -32.52 -30.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.598 ' N ' ' O ' ' A' ' 39' ' ' CYS . 3.7 m-20 -69.17 124.5 23.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.832 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 43' ' ' GLY . 61.1 t -90.6 152.24 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.4 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 120.81 -15.41 9.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.661 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 62.8 m95 -126.21 155.87 41.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.74 0.305 . . . . 0.0 110.944 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.661 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.1 m0 -164.16 153.57 13.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -113.77 128.2 56.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.49 164.14 26.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.813 ' HB2' HD11 ' A' ' 35' ' ' ILE . 11.7 tt0 -106.89 127.96 53.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.87 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.718 HD22 HG22 ' A' ' 26' ' ' ILE . 26.8 tp -144.1 116.76 8.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 58.99 39.57 23.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.58 48.32 57.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.474 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -142.99 127.6 18.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.89 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -109.77 107.61 17.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.3 165.1 30.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.4 m -83.15 165.56 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.439 ' C ' ' CD1' ' A' ' 56' ' ' PHE . 4.4 p90 -167.24 153.23 7.52 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.686 0.755 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 116.05 4.37 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.389 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.587 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -53.46 -45.81 69.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.492 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 5.2 p-10 -44.85 -39.91 5.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -63.35 -38.52 91.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' A' ' 58' ' ' ASP . 19.3 m -103.56 177.26 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -142.47 151.02 41.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.558 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.2 mm? -88.17 128.62 35.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.923 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.8 t0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.775 0.321 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.557 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.7 m-85 -89.62 131.24 35.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.7 m -126.65 126.43 43.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.432 ' CB ' HD21 ' A' ' 64' ' ' LEU . 61.0 tttt -84.25 131.68 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.66 HG22 HG12 ' A' ' 61' ' ' VAL . 57.5 t -89.74 117.03 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.162 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.424 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -102.56 -30.84 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.488 ' HB3' ' CD2' ' A' ' 60' ' ' PHE . 8.1 m-85 -107.41 125.05 33.27 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.662 0.744 . . . . 0.0 110.828 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 134.54 28.2 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.386 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.437 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 78.0 t80 -143.45 138.55 29.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -110.25 123.59 50.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.29 125.46 25.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.461 ' HG3' ' N ' ' A' ' 20' ' ' ASN . 7.5 pt20 -81.22 -38.93 26.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.461 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 41.2 m-80 -120.81 167.47 12.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -54.55 -44.89 73.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.431 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 21.5 t0 -52.31 -47.89 65.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -67.6 145.24 55.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.514 HD11 ' HB3' ' A' ' 49' ' ' LEU . 6.1 tp -102.22 140.04 37.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.7 m -88.5 118.31 28.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.68 HG22 HD22 ' A' ' 49' ' ' LEU . 38.1 pt -122.29 136.34 59.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -115.43 168.11 10.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -72.57 107.3 5.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.35 36.16 1.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -142.79 139.03 30.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.809 0.337 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.557 HG21 ' CD2' ' A' ' 9' ' ' TYR . 3.4 mp -102.83 125.85 57.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.703 HG22 HD13 ' A' ' 49' ' ' LEU . 99.0 t -98.51 151.26 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.4 m -102.55 108.68 20.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 tp -57.61 104.35 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.4 mt -83.62 -55.75 6.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -134.63 138.63 44.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -73.96 165.3 25.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.423 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 13.6 t70 -102.12 161.51 13.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.586 ' O ' ' N ' ' A' ' 41' ' ' ASP . 2.7 m -52.05 163.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 39' ' ' CYS . 23.8 mt -33.28 -29.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 39' ' ' CYS . 17.5 m-20 -69.17 124.53 24.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 43' ' ' GLY . 82.6 t -89.32 153.69 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.426 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 118.4 -13.3 12.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.52 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.667 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 76.2 m95 -126.12 149.77 48.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.735 0.302 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.667 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 9.9 m0 -166.4 159.59 14.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -117.77 136.99 53.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.471 ' HA3' ' CG1' ' A' ' 32' ' ' VAL . . . -153.94 173.05 32.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.519 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -110.01 128.41 55.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.379 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.703 HD13 HG22 ' A' ' 32' ' ' VAL . 12.2 tp -144.09 116.51 8.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 62.24 42.06 9.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.94 43.62 97.21 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -141.37 130.08 22.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.323 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -108.46 106.22 16.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.431 ' CA ' ' O ' ' A' ' 22' ' ' ASP . . . -153.22 166.11 31.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 36.0 m -79.16 158.91 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.36 . . . . 0.0 111.187 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.434 ' C ' ' CD1' ' A' ' 56' ' ' PHE . 6.2 p90 -155.83 152.84 24.82 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.659 0.742 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.418 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 54.2 Cg_endo -69.74 106.88 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.682 2.255 . . . . 0.0 112.351 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.472 ' CG ' ' CZ3' ' A' ' 45' ' ' TRP . 4.0 t0 -48.18 -48.78 34.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -43.3 -46.18 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.488 ' CD2' ' HB3' ' A' ' 14' ' ' PHE . 10.3 m-85 -57.55 -37.76 73.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.66 HG12 HG22 ' A' ' 12' ' ' VAL . 30.2 m -103.36 177.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -142.48 158.8 43.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.415 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 2.9 mm? -89.41 122.16 32.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.432 HD21 ' CB ' ' A' ' 11' ' ' LYS . 60.6 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.967 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.828 0.346 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.425 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.8 m-85 -87.02 128.07 35.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.4 m -125.26 127.27 46.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.574 ' CB ' HD21 ' A' ' 64' ' ' LEU . 34.2 tttp -86.88 129.57 34.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.555 HG22 HG12 ' A' ' 61' ' ' VAL . 97.8 t -85.12 112.33 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.475 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -103.26 -26.85 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -112.35 122.88 35.44 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.645 0.736 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 136.18 32.36 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.564 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 80.3 t80 -138.62 139.37 38.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -107.44 111.72 24.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.47 136.98 57.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.116 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -84.85 -47.92 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -130.98 170.66 14.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -44.92 -42.64 8.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -50.34 -47.97 55.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -76.28 147.76 38.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.479 ' HG ' ' N ' ' A' ' 25' ' ' THR . 6.9 tp -104.85 150.85 24.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.479 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 19.8 m -96.6 128.15 43.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.0 pt -137.09 140.83 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -116.49 169.2 9.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -73.27 116.5 13.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.49 40.86 2.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.422 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.7 m-20 -148.23 132.86 17.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.328 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.425 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.3 mp -96.96 132.59 41.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.756 HG22 HD13 ' A' ' 49' ' ' LEU . 93.0 t -116.58 126.86 74.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.8 m -71.07 127.02 31.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tp -72.99 111.61 8.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.442 HD11 ' HB2' ' A' ' 48' ' ' GLU . 41.7 mm -78.1 -61.55 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -136.88 146.52 45.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -74.73 165.31 25.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 29.2 t70 -99.57 162.76 12.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 41' ' ' ASP . 2.4 m -51.93 162.76 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' CYS . 49.9 mm -34.29 -28.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.567 ' N ' ' O ' ' A' ' 39' ' ' CYS . 80.8 m-20 -68.87 124.78 24.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.0 t -88.71 146.62 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.33 -11.39 9.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.522 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.667 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 86.9 m95 -126.6 146.68 50.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.667 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.8 m0 -163.0 154.81 17.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -117.36 133.04 56.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.0 171.55 26.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.442 ' HB2' HD11 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -110.4 127.32 55.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.89 -179.902 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.756 HD13 HG22 ' A' ' 32' ' ' VAL . 34.1 tp -141.56 114.34 8.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 62.25 41.13 10.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.93 41.78 95.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.467 ' HA ' ' CZ ' ' A' ' 52' ' ' ARG . 1.5 mmp_? -137.44 130.7 30.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.777 0.322 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.0 mtm-85 -109.65 110.93 22.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.13 162.86 31.62 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.0 m -79.38 165.58 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 56' ' ' PHE . 4.9 p90 -165.99 153.16 9.1 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.676 0.75 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 111.97 2.96 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.707 2.271 . . . . 0.0 112.345 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.555 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.7 t0 -50.05 -46.62 53.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.832 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -45.74 -43.09 12.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.564 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 5.7 m-85 -59.92 -37.43 79.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.555 HG12 HG22 ' A' ' 12' ' ' VAL . 18.1 m -103.34 174.99 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.9 ttmm -138.65 153.36 48.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.944 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.638 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.1 mm? -89.01 106.77 18.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.574 HD21 ' CB ' ' A' ' 11' ' ' LYS . 15.1 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.4 t0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.82 0.343 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.617 ' CD2' HG21 ' A' ' 31' ' ' ILE . 3.4 m-85 -88.17 125.15 34.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.8 m -121.29 126.64 50.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -83.92 129.1 34.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.472 HG21 ' HB ' ' A' ' 26' ' ' ILE . 94.0 t -87.38 107.77 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.167 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.799 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.97 -32.24 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.427 ' N ' HG12 ' A' ' 13' ' ' ILE . 49.1 m-85 -103.76 124.75 36.75 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.659 0.743 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 128.54 16.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.493 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 72.2 t80 -130.04 153.58 48.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -121.86 115.03 21.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.49 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -56.74 137.66 54.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.447 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 27.5 tp60 -78.52 -45.56 21.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -144.87 175.35 10.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -40.57 -37.85 0.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.85 -46.22 90.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.447 ' CD ' ' HB3' ' A' ' 19' ' ' GLN . 33.5 mt-10 -74.23 144.14 44.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.532 HD11 ' HB3' ' A' ' 49' ' ' LEU . 5.8 tp -104.46 150.4 24.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.472 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 90.8 m -97.77 136.32 38.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.472 ' HB ' HG21 ' A' ' 12' ' ' VAL . 22.7 pt -142.79 134.09 24.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.471 ' HD3' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -116.32 153.12 32.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -57.77 109.83 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.72 40.27 0.86 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.409 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.5 m-20 -154.12 136.31 14.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.617 HG21 ' CD2' ' A' ' 9' ' ' TYR . 3.8 mp -98.4 137.17 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.171 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.429 HG22 HD13 ' A' ' 49' ' ' LEU . 49.5 t -119.93 122.04 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.3 m -70.67 114.71 9.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' A' ' 45' ' ' TRP . 8.0 tp -62.52 110.23 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.3 mm -76.65 -58.55 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -137.59 143.96 41.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.8 mttp -74.75 164.7 26.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.431 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 11.7 t70 -98.95 161.57 13.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.581 ' O ' ' N ' ' A' ' 41' ' ' ASP . 95.4 m -52.02 163.15 0.38 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 39' ' ' CYS . 28.0 mt -33.05 -30.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 39' ' ' CYS . 1.8 m-20 -69.27 124.5 24.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 43' ' ' GLY . 66.4 t -89.39 153.19 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.413 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 120.0 -15.85 10.21 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.67 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 76.1 m95 -123.57 150.93 43.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.745 0.307 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.67 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.2 m0 -166.53 152.57 8.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -116.01 132.67 56.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.07 169.04 26.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -108.21 125.32 51.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.899 0.381 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.532 ' HB3' HD11 ' A' ' 24' ' ' LEU . 15.3 tp -136.87 120.21 16.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 52.81 41.1 31.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.8 42.2 80.06 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -136.64 126.99 26.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.331 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.1 mtm-85 -109.46 107.75 18.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.89 160.66 29.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.467 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.9 m -79.59 152.04 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 111.135 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -151.28 152.87 31.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.412 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 53.8 Cg_endo -69.75 112.75 3.16 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.553 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 1.3 t0 -52.33 -49.53 64.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -42.04 -40.36 2.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.493 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 7.4 m-85 -65.09 -36.89 85.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.483 HG22 ' HA ' ' A' ' 58' ' ' ASP . 13.2 m -102.85 174.39 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.096 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -139.98 155.81 46.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.574 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.7 mm? -89.29 121.04 31.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.5 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.919 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.504 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.9 m-85 -87.66 142.29 27.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.7 m -139.11 126.21 21.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -87.82 130.48 34.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 30' ' ' ASP . 76.5 t -82.44 111.7 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.547 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.81 -28.23 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.434 ' N ' HG12 ' A' ' 13' ' ' ILE . 11.2 m-85 -111.67 126.68 28.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 120.54 7.31 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.325 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.559 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 76.5 t80 -122.91 142.91 50.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -116.47 114.98 24.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.27 134.4 53.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -88.09 -39.89 14.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -129.43 156.28 44.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -39.65 -37.53 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.85 -50.35 70.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -67.66 153.96 42.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.449 ' HG ' ' N ' ' A' ' 25' ' ' THR . 7.7 tp -108.57 150.57 27.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.561 ' O ' HD23 ' A' ' 49' ' ' LEU . 99.2 m -92.73 130.19 38.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.62 HG22 HD22 ' A' ' 49' ' ' LEU . 40.3 pt -139.7 140.7 36.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.55 149.18 47.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -54.67 114.65 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.32 39.4 1.24 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.526 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.9 m-20 -153.59 130.9 11.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.83 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.504 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.5 mp -94.43 125.61 47.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.756 HG22 HD13 ' A' ' 49' ' ' LEU . 84.8 t -106.21 126.7 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.6 m -74.42 118.13 17.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.6 tp -66.99 112.77 4.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.518 HG22 ' ND2' ' A' ' 36' ' ' ASN . 35.4 mm -79.43 -60.73 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.518 ' ND2' HG22 ' A' ' 35' ' ' ILE . 63.5 m-80 -137.54 146.8 44.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -74.87 165.87 24.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 14.3 t70 -98.2 162.2 13.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.545 ' O ' ' N ' ' A' ' 41' ' ' ASP . 79.8 m -51.93 162.8 0.4 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.473 ' C ' ' O ' ' A' ' 39' ' ' CYS . 72.5 mt -32.07 -33.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.545 ' N ' ' O ' ' A' ' 39' ' ' CYS . 37.5 m-20 -68.19 124.66 24.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 43' ' ' GLY . 78.4 t -88.17 154.7 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.44 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 119.21 -18.75 10.22 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.664 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 75.8 m95 -120.95 146.56 46.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.706 0.288 . . . . 0.0 110.943 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.664 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 11.2 m0 -161.64 152.12 17.55 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -114.51 137.65 51.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -153.16 163.85 30.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -100.71 129.33 46.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.861 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.756 HD13 HG22 ' A' ' 32' ' ' VAL . 29.0 tp -143.75 114.7 7.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 62.13 42.62 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.63 38.03 95.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.537 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.0 mtp85 -136.2 131.18 34.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.775 0.322 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -110.12 110.62 21.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.48 166.11 32.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.505 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.2 m -83.25 163.47 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 111.157 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 56' ' ' PHE . 8.3 p90 -164.44 152.92 11.09 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.665 0.745 . . . . 0.0 110.837 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 53.5 Cg_endo -69.82 118.47 5.7 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.628 2.219 . . . . 0.0 112.339 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.556 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 1.7 t0 -57.2 -32.81 66.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -57.11 -33.11 67.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.559 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 16.7 m-85 -78.34 -1.9 35.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.446 HG22 ' HA ' ' A' ' 58' ' ' ASP . 33.1 m -139.01 174.81 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -144.01 154.38 43.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.612 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.3 mm? -87.77 114.73 24.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.4 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -95.4 136.13 36.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.388 . . . . 0.0 110.839 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -91.77 -50.2 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.69 164.44 32.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.452 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 t -101.03 128.23 47.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -72.44 -56.89 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.99 -153.17 8.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -145.82 118.26 8.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -87.02 138.86 31.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.9 m -133.52 128.51 35.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.547 ' CB ' HD21 ' A' ' 64' ' ' LEU . 52.1 tttm -87.78 129.06 35.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 27' ' ' LYS . 82.4 t -85.68 119.95 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.802 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -113.07 -24.62 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -112.82 125.99 29.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.664 0.745 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 132.39 23.37 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.677 2.251 . . . . 0.0 112.413 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.492 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 59.3 t80 -129.7 157.73 41.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.963 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -130.18 105.06 7.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.496 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -58.19 123.72 16.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.079 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -76.03 -43.96 41.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -124.35 166.3 16.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -44.83 -47.25 11.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.461 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 15.6 m-20 -47.08 -49.02 22.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.496 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 19.7 mt-10 -72.16 142.8 49.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.9 tp -103.21 143.29 32.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.7 m -90.8 117.37 29.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.1 pt -125.11 145.65 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.496 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 22.0 mmtp -116.43 167.73 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -75.61 118.61 18.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.08 34.02 3.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -143.39 144.31 32.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.573 HD12 ' N ' ' A' ' 31' ' ' ILE . 3.3 mp -102.74 136.9 32.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.691 HG22 HD13 ' A' ' 49' ' ' LEU . 96.0 t -121.01 126.54 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.3 m -74.35 115.98 14.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.5 tp -65.09 113.72 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.6 mm -79.19 -59.88 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -137.95 143.84 40.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -74.59 165.34 25.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 10.5 t0 -98.42 161.54 13.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.572 ' O ' ' N ' ' A' ' 41' ' ' ASP . 17.6 m -51.98 163.03 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.744 ' H ' HD12 ' A' ' 40' ' ' ILE . 4.4 mp -32.73 -31.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.572 ' N ' ' O ' ' A' ' 39' ' ' CYS . 40.3 m-20 -69.32 124.56 24.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 43' ' ' GLY . 60.8 t -88.82 153.82 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.426 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 119.4 -16.84 10.53 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.473 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.66 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 70.5 m95 -124.29 145.38 49.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.768 0.318 . . . . 0.0 110.93 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.66 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 11.2 m0 -161.16 154.83 22.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -116.72 133.44 56.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.69 170.13 27.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -109.78 126.33 53.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.895 0.378 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.691 HD13 HG22 ' A' ' 32' ' ' VAL . 26.7 tp -143.98 126.53 15.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 56.69 42.52 26.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.99 50.01 72.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -142.51 160.96 39.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -135.98 108.36 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.461 ' CA ' ' O ' ' A' ' 22' ' ' ASP . . . -155.9 165.9 32.79 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.1 m -83.06 162.98 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -161.41 153.1 16.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.633 0.73 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 54.4 Cg_endo -69.7 107.98 1.97 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.38 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.543 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.2 t0 -46.96 -47.79 21.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.835 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -44.12 -46.93 8.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.492 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 6.7 m-85 -56.04 -38.39 70.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.0 m -103.07 177.55 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -143.1 156.45 44.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.543 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.9 mm? -90.67 126.59 36.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.547 HD21 ' CB ' ' A' ' 11' ' ' LYS . 29.4 mt -85.52 129.88 34.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.6 m -76.08 -50.97 13.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.84 146.07 5.27 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 122.69 9.38 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.691 2.261 . . . . 0.0 112.361 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.0 t -96.37 -50.28 4.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.9 p -122.9 169.58 10.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.5 p -42.27 -45.42 4.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.844 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 t -119.52 148.22 43.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.88 39.82 0.77 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m 62.95 42.46 7.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.4 t -46.96 -46.73 21.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.68 166.06 12.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.524 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.12 107.74 1.64 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.846 0.355 . . . . 0.0 110.847 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.468 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.8 m-85 -88.03 139.04 30.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.404 ' SG ' HD13 ' A' ' 63' ' ' LEU . 60.3 m -136.45 123.08 21.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -85.21 129.96 34.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 30' ' ' ASP . 88.2 t -80.31 114.31 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.416 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -99.21 -30.93 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -113.49 131.62 22.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 133.52 25.84 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.456 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 51.8 t80 -130.43 137.05 49.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.936 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.35 105.35 13.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -54.73 123.11 12.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -77.57 -43.44 31.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -125.62 159.44 32.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.57 -52.62 2.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -41.45 -52.01 3.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.424 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 1.7 mp0 -65.01 152.22 43.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.5 tp -111.64 135.53 52.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.2 m -82.54 130.33 35.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.55 HG22 HD22 ' A' ' 49' ' ' LEU . 42.9 pt -140.11 137.65 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -110.69 164.13 13.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -68.89 110.77 4.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.47 38.17 1.37 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.455 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.3 m-20 -145.04 127.97 16.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.742 0.306 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.468 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.4 mp -90.43 136.76 23.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.454 HG22 HD13 ' A' ' 49' ' ' LEU . 90.0 t -119.67 124.1 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.6 m -72.56 113.06 9.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.175 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 tp -58.5 106.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.824 HD11 ' HB2' ' A' ' 48' ' ' GLU . 42.2 mm -73.82 -59.45 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -142.68 146.02 33.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -73.45 165.06 25.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 44' ' ' TRP . 18.9 t70 -95.71 161.56 13.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.59 ' O ' ' N ' ' A' ' 41' ' ' ASP . 36.2 m -52.01 163.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.712 ' H ' HD12 ' A' ' 40' ' ' ILE . 4.6 mp -32.67 -30.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -69.24 124.42 23.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.853 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.6 t -90.16 151.62 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.29 -15.09 9.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.447 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.669 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 69.3 m95 -125.89 153.23 44.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.314 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.669 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.4 m0 -164.1 155.39 15.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.955 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -116.03 139.19 50.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.3 163.51 29.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.824 ' HB2' HD11 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -105.77 121.7 44.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.92 0.391 . . . . 0.0 110.887 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.55 HD22 HG22 ' A' ' 26' ' ' ILE . 43.5 tp -135.33 116.33 14.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 56.56 41.28 28.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.3 44.63 74.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -138.99 125.51 20.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 -107.79 107.47 18.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.53 165.93 31.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.525 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.8 m -85.51 158.87 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 111.137 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.419 ' C ' ' CD1' ' A' ' 56' ' ' PHE . 4.3 p90 -158.07 151.76 19.39 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.71 0.767 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.495 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 53.6 Cg_endo -69.73 117.89 5.35 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.664 2.242 . . . . 0.0 112.383 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.585 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -54.49 -24.77 21.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -65.37 -31.81 73.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.495 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 13.7 m-85 -80.24 -3.18 48.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.423 HG12 HG22 ' A' ' 12' ' ' VAL . 34.4 m -136.83 175.73 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -145.83 150.02 35.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.562 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.1 mm? -86.18 121.56 28.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.6 mt -89.22 166.81 13.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.7 t -104.18 116.63 32.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.38 -96.79 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 116.03 4.37 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.665 2.244 . . . . 0.0 112.36 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.0 m -84.43 137.42 33.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.6 t -56.91 -58.0 10.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -102.43 103.15 13.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.6 p -58.09 141.82 48.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.46 -106.89 0.68 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.525 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -79.65 -43.52 22.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.87 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -62.53 139.07 58.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.67 154.88 7.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.467 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.06 109.23 17.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -88.58 150.32 23.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.935 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.0 m -144.68 120.34 10.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -85.57 129.68 34.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 30' ' ' ASP . 90.2 t -82.74 115.38 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.463 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -102.01 -28.19 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -111.13 131.26 22.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.646 0.736 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 131.93 22.26 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.718 2.278 . . . . 0.0 112.322 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.567 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 78.8 t80 -148.18 121.0 8.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.605 ' HA ' HG23 ' A' ' 25' ' ' THR . 8.0 pt-20 -97.2 126.59 42.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.526 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -58.21 130.1 45.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.478 ' HG3' ' N ' ' A' ' 20' ' ' ASN . 8.1 pt20 -76.38 -40.47 50.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.478 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 71.5 m-80 -135.4 163.02 30.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -38.48 -51.22 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.466 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 35.0 t0 -45.31 -57.16 4.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.475 ' OE1' ' CG ' ' A' ' 19' ' ' GLN . 3.4 mp0 -58.74 167.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.526 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 3.5 tp -123.54 129.29 50.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.605 HG23 ' HA ' ' A' ' 17' ' ' GLU . 1.2 m -78.03 116.41 18.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 29.9 pt -123.53 143.3 37.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -116.24 162.39 17.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -70.86 115.78 10.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.8 40.52 2.14 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 12' ' ' VAL . 16.4 m-20 -148.13 133.15 18.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.43 HD12 ' N ' ' A' ' 31' ' ' ILE . 4.2 mp -88.24 147.64 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.3 t -130.4 120.97 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 84.9 m -70.3 108.88 4.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.1 tp -58.32 105.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.7 mm -70.68 -63.01 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -141.57 139.98 33.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -65.98 165.32 13.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 44' ' ' TRP . 20.5 t70 -94.16 161.89 14.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.585 ' O ' ' N ' ' A' ' 41' ' ' ASP . 99.8 m -52.03 163.27 0.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.9 OUTLIER -32.05 -31.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.585 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -69.23 124.6 24.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.476 HG12 ' N ' ' A' ' 43' ' ' GLY . 75.2 t -89.39 156.03 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.476 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 116.7 -16.07 14.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.547 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.662 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 66.8 m95 -125.77 151.0 47.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.782 0.325 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.662 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.9 m0 -161.71 154.25 20.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -114.35 140.91 48.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.98 170.46 31.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.442 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -113.72 123.85 50.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.438 ' HB3' HD11 ' A' ' 24' ' ' LEU . 26.7 tp -144.07 118.6 9.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 62.3 41.06 10.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.38 45.81 94.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -143.0 131.18 21.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.835 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -112.92 105.76 13.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.466 ' CA ' ' O ' ' A' ' 22' ' ' ASP . . . -149.44 166.08 29.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.7 m -82.9 161.18 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.416 ' HE1' HG21 ' A' ' 61' ' ' VAL . 10.5 p90 -161.66 152.02 14.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.611 0.719 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.509 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 54.2 Cg_endo -69.76 119.38 6.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -56.06 -24.27 38.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -65.24 -29.01 69.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 32.1 m-85 -84.05 -1.07 54.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' A' ' 58' ' ' ASP . 21.4 m -137.62 175.55 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -145.53 149.78 35.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.578 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.1 mm? -86.82 114.53 23.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.4 mt -79.78 175.56 10.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.3 t -69.09 -53.12 21.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.77 66.05 1.33 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -175.17 1.07 Allowed 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.72 2.28 . . . . 0.0 112.375 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.0 m -88.32 -61.76 1.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.2 m -71.79 120.64 17.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.816 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.449 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.9 m -56.51 -47.25 79.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.805 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 p 52.12 40.08 27.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.799 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.51 90.75 1.3 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.468 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -61.48 163.15 7.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.873 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.0 t -83.96 -53.45 5.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.3 -149.83 26.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -116.1 149.24 39.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.706 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.8 m-85 -91.0 127.54 36.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.4 m -125.25 122.26 36.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -84.67 129.6 34.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 30' ' ' ASP . 70.4 t -83.85 114.27 24.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.136 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.758 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -98.42 -32.22 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -112.13 127.47 26.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.677 0.751 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 131.38 21.04 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.566 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 66.1 t80 -127.49 155.65 43.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -124.21 113.4 18.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.39 106.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -67.12 -40.4 86.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -119.49 176.15 5.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -58.57 -55.0 40.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.424 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 12.4 m-20 -47.52 -45.84 26.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -58.0 148.95 24.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.5 tp -110.43 144.5 39.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.5 m -89.92 121.54 32.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.9 pt -129.62 151.75 36.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -130.46 154.15 48.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -59.7 110.05 1.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.14 41.66 0.81 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.476 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.478 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.3 m-20 -153.34 123.52 7.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.781 0.324 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.706 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.0 mp -85.88 124.67 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.948 HG22 HD13 ' A' ' 49' ' ' LEU . 69.7 t -106.44 125.5 62.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.4 m -75.98 115.21 15.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.9 tp -60.15 113.36 2.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.819 HD11 ' HB2' ' A' ' 48' ' ' GLU . 36.5 mm -81.36 -59.73 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -138.2 135.95 36.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -67.34 165.16 16.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.433 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 27.5 t70 -99.37 161.55 13.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 41' ' ' ASP . 68.1 m -52.01 162.99 0.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.46 ' C ' ' O ' ' A' ' 39' ' ' CYS . 46.1 mm -33.08 -30.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 39' ' ' CYS . 73.7 m-20 -69.24 124.58 24.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -88.97 150.0 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 57' ' ' PRO . . . 121.94 -12.85 9.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.478 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.674 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 77.1 m95 -126.17 148.8 49.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.727 0.299 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.674 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.3 m0 -165.24 152.49 10.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' HG3' ' C ' ' A' ' 54' ' ' GLY . 10.4 tt0 -117.95 128.02 54.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.39 172.86 21.97 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.819 ' HB2' HD11 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -112.3 123.2 49.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.859 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.948 HD13 HG22 ' A' ' 32' ' ' VAL . 7.4 tp -142.28 127.22 18.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 54.49 41.65 31.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.83 46.34 94.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -141.91 137.65 31.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -114.88 111.48 21.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.435 ' C ' ' HG3' ' A' ' 46' ' ' GLU . . . -154.93 164.94 32.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.4 m -84.02 163.04 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 111.124 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -162.59 153.34 14.4 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.669 0.747 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 53.9 Cg_endo -69.77 110.21 2.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.34 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.552 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 1.6 t0 -48.49 -34.23 10.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -56.04 -34.63 66.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.566 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 8.8 m-85 -76.46 -0.07 21.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.9 m -140.58 173.65 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -144.22 151.97 40.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.525 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.1 mm? -86.29 111.66 20.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 23.0 mt -74.53 155.19 38.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.1 t -147.57 117.57 7.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -146.35 -148.74 4.84 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 120.35 7.14 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.684 2.256 . . . . 0.0 112.302 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 69' ' ' SER . 48.5 t -82.18 114.13 20.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 68' ' ' SER . 85.9 p -35.31 -41.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.871 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.6 m -152.41 174.96 13.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.828 0.347 . . . . 0.0 110.838 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t -63.8 123.8 19.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.88 -142.78 3.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -38.66 -47.36 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.902 0.382 . . . . 0.0 110.789 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 p -115.48 177.04 4.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.54 109.07 0.54 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.445 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -108.88 117.12 33.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -89.45 148.46 23.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.448 ' SG ' HD13 ' A' ' 63' ' ' LEU . 64.6 m -145.52 123.83 12.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -87.92 132.43 34.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.625 HG21 ' HB ' ' A' ' 26' ' ' ILE . 48.8 t -81.6 118.91 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.487 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -100.43 -20.94 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.163 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.448 ' HB3' ' CD2' ' A' ' 60' ' ' PHE . 9.1 m-85 -125.17 131.84 24.17 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.641 0.734 . . . . 0.0 110.853 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 116.17 4.43 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.572 ' CE2' ' HG3' ' A' ' 57' ' ' PRO . 53.8 t80 -119.97 117.7 28.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -92.87 124.86 37.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.524 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -68.97 142.5 54.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -92.87 -44.79 8.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -122.64 164.32 18.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -41.98 -51.72 4.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -46.39 -56.37 5.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.524 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 35.0 mt-10 -57.66 148.73 23.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 tp -112.13 144.79 40.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.421 ' O ' HD23 ' A' ' 49' ' ' LEU . 89.7 m -92.07 129.76 37.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.625 ' HB ' HG21 ' A' ' 12' ' ' VAL . 20.1 pt -132.22 125.17 53.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.5 171.8 9.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.62 104.82 13.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.56 33.84 2.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.531 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.538 ' O ' HG23 ' A' ' 12' ' ' VAL . 10.2 m-20 -131.48 128.33 39.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mp -85.32 135.9 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.407 HG22 HD13 ' A' ' 49' ' ' LEU . 84.6 t -121.05 130.17 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 62.5 m -76.39 114.38 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.6 tp -63.42 109.5 1.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.604 HD11 ' HB2' ' A' ' 48' ' ' GLU . 46.8 mm -74.92 -62.03 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -140.71 146.85 38.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -70.56 165.37 22.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.438 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 31.6 t70 -94.84 162.15 13.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.569 ' O ' ' N ' ' A' ' 41' ' ' ASP . 7.4 m -52.01 162.41 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.459 ' C ' ' O ' ' A' ' 39' ' ' CYS . 49.7 mt -32.73 -31.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.569 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -69.04 124.63 24.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.6 t -88.42 150.05 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.71 -13.28 9.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.68 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 74.2 m95 -126.4 153.76 44.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.742 0.306 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.68 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.5 m0 -164.67 154.31 13.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -114.68 141.07 48.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -153.69 166.64 31.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.604 ' HB2' HD11 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -108.72 123.15 48.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.862 0.363 . . . . 0.0 110.932 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 25' ' ' THR . 44.2 tp -140.48 113.69 8.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.5 m120 64.15 39.39 7.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.4 45.47 85.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.526 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -140.78 126.09 18.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.88 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -107.61 105.81 15.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -151.08 165.99 30.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.442 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.9 m -84.53 160.95 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.858 0.361 . . . . 0.0 111.114 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.543 ' HE1' HG21 ' A' ' 61' ' ' VAL . 10.2 p90 -161.53 152.55 15.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.738 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.572 ' HG3' ' CE2' ' A' ' 16' ' ' TYR . 54.3 Cg_endo -69.73 118.29 5.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.26 . . . . 0.0 112.337 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -52.6 -34.56 51.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -54.84 -31.95 59.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.556 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 34.8 m-85 -82.29 11.36 5.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.543 HG21 ' HE1' ' A' ' 56' ' ' PHE . 34.0 m -152.62 173.52 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -143.67 150.0 38.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.566 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.0 mm? -86.42 117.93 25.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.7 mt -77.68 149.9 34.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.0 m -145.67 172.89 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.68 164.74 22.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -30.36 22.15 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.37 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 94.0 p -52.73 157.66 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.0 t 66.77 42.22 2.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -138.04 150.08 46.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.388 . . . . 0.0 110.848 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.6 t -64.25 140.12 58.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.32 77.62 0.26 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 p -89.96 144.91 25.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.4 m -100.43 135.32 42.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.38 -174.73 20.55 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -117.08 123.05 45.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.345 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.621 ' CD2' HG21 ' A' ' 31' ' ' ILE . 3.3 m-85 -90.08 139.95 30.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.5 m -131.91 124.83 30.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -85.27 129.31 34.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 30' ' ' ASP . 88.1 t -82.6 110.61 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.664 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.35 -31.26 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -109.26 128.26 25.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.659 0.743 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 139.06 39.12 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.652 2.235 . . . . 0.0 112.304 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -145.01 128.27 16.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -101.52 107.57 18.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.24 108.55 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -68.0 -41.38 82.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.59 154.1 27.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -49.69 -40.23 39.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.07 -48.0 71.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -64.58 156.54 29.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 tp -110.34 134.26 52.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.1 m -80.7 123.47 28.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.166 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.516 HG22 HD22 ' A' ' 49' ' ' LEU . 30.0 pt -130.4 138.51 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 mmtm -116.78 157.78 24.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -62.69 117.88 6.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.84 38.81 2.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.571 ' O ' HG23 ' A' ' 12' ' ' VAL . 10.6 m-20 -147.69 131.6 17.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.621 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.2 mp -95.44 136.82 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.48 HG22 HD13 ' A' ' 49' ' ' LEU . 57.0 t -119.02 123.72 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.3 m -69.25 119.98 14.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 tp -68.12 106.06 2.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.1 mm -75.78 -61.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -137.19 142.58 42.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -71.19 165.11 24.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.442 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 30.5 t70 -96.91 161.42 13.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.56 ' O ' ' N ' ' A' ' 41' ' ' ASP . 78.9 m -51.94 162.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 39' ' ' CYS . 63.1 mt -32.38 -31.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' A' ' 39' ' ' CYS . 65.9 m-20 -69.17 124.62 24.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 43' ' ' GLY . 79.4 t -88.27 156.31 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.474 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 116.53 -15.95 14.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.54 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.67 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 75.9 m95 -123.34 150.64 43.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.761 0.315 . . . . 0.0 110.91 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.67 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.5 m0 -165.14 152.23 10.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -114.2 136.26 53.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.418 ' HA3' HG12 ' A' ' 32' ' ' VAL . . . -153.5 166.66 31.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -100.48 129.83 46.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.516 HD22 HG22 ' A' ' 26' ' ' ILE . 54.5 tp -144.11 119.76 10.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 59.77 47.56 10.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.83 38.53 92.46 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -133.17 158.9 41.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.63 108.08 9.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.36 163.1 31.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.8 m -82.97 160.77 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.38 . . . . 0.0 111.098 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.552 ' CE1' HG21 ' A' ' 61' ' ' VAL . 10.5 p90 -157.38 152.94 22.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.651 0.739 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.41 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 53.9 Cg_endo -69.8 110.38 2.55 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.345 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.544 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.2 t0 -49.86 -51.15 42.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -40.74 -43.34 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -63.18 -35.83 81.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.552 HG21 ' CE1' ' A' ' 56' ' ' PHE . 33.2 m -102.93 175.05 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -141.68 155.17 45.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.57 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.0 mm? -89.76 117.04 28.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 71.5 mt -73.46 148.28 43.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.2 p -87.88 -44.51 11.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 126.97 79.96 0.31 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 0.9 4.96 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.335 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.3 p -40.5 -60.43 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.809 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.3 t -123.04 147.35 46.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.1 p -76.97 176.45 8.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.879 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.0 t -102.05 128.34 48.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.48 55.96 0.48 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.509 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -56.49 -60.89 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 110.878 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 m -101.0 120.28 39.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.43 71.55 0.27 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.517 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -67.4 119.63 12.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.341 . . . . 0.0 110.832 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -87.43 143.56 27.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.7 m -141.2 120.5 13.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -84.71 130.52 34.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.9 t -83.43 110.61 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.662 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -95.92 -28.07 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.4 ' HB3' ' CD2' ' A' ' 60' ' ' PHE . 34.1 m-85 -113.71 128.68 25.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.678 0.751 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 136.08 32.15 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -152.27 113.78 4.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.835 ' HA ' HG23 ' A' ' 25' ' ' THR . 6.2 pt-20 -92.09 127.32 37.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.936 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.406 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -62.58 130.89 47.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.401 ' HG3' ' N ' ' A' ' 20' ' ' ASN . 2.6 pt20 -78.55 -37.0 43.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 21' ' ' ASP . 3.5 m-80 -128.46 150.28 50.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 20' ' ' ASN . 22.5 m-20 -34.14 -46.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -46.51 -58.84 3.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.53 ' OE1' HG23 ' A' ' 55' ' ' VAL . 3.6 mm-40 -62.86 154.36 30.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.509 HD11 ' HB3' ' A' ' 49' ' ' LEU . 6.5 tp -108.28 127.58 53.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.835 HG23 ' HA ' ' A' ' 17' ' ' GLU . 11.6 m -76.49 105.67 7.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.094 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.4 pt -106.57 141.31 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.136 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -118.61 160.86 21.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -67.54 122.76 18.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.77 40.94 3.97 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -146.32 117.86 8.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.323 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 31' ' ' ILE . 4.0 mp -82.28 119.13 31.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.514 HG22 HD13 ' A' ' 49' ' ' LEU . 99.6 t -98.66 128.67 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.8 m -77.61 109.65 11.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -58.45 107.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.536 HD11 ' HB2' ' A' ' 48' ' ' GLU . 44.7 mm -75.49 -60.94 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -141.66 146.48 36.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -71.7 165.25 24.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -94.74 161.16 14.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.588 ' O ' ' N ' ' A' ' 41' ' ' ASP . 7.1 t -51.98 163.43 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 39' ' ' CYS . 29.0 mm -32.46 -31.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' A' ' 39' ' ' CYS . 64.1 m-20 -69.26 124.32 23.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 t -89.87 151.88 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.0 -14.43 9.6 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.552 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.678 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 68.8 m95 -126.03 156.57 39.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.769 0.319 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.678 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.1 m0 -166.03 153.66 10.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -114.48 140.74 48.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.93 172.6 31.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.536 ' HB2' HD11 ' A' ' 35' ' ' ILE . 8.2 tt0 -114.92 127.2 55.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.514 HD13 HG22 ' A' ' 32' ' ' VAL . 16.4 tp -141.42 119.24 11.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.8 m120 54.29 40.47 31.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.47 46.92 60.42 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 59.5 mtt85 -139.21 125.36 20.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -108.66 107.3 17.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.03 163.92 32.08 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.53 HG23 ' OE1' ' A' ' 23' ' ' GLU . 34.6 m -80.31 166.58 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.853 0.359 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -167.27 152.21 6.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.671 0.748 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 122.0 8.69 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.585 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -59.52 -39.54 84.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.464 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 0.8 OUTLIER -51.32 -24.09 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.436 ' C ' HG13 ' A' ' 61' ' ' VAL . 16.8 m-85 -89.06 18.03 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 58' ' ' ASP . 18.9 m -158.26 177.39 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -145.05 145.75 31.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.514 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.4 mm? -82.49 120.47 25.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.6 mt -84.57 -53.61 5.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.5 m -39.3 -65.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -142.91 85.7 0.19 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -0.72 7.34 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.336 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.8 p -93.93 -34.34 13.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.3 m -136.3 161.9 34.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.525 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -94.65 165.55 12.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -38.63 -44.05 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.8 -40.84 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.1 p -119.65 105.63 11.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.916 0.389 . . . . 0.0 110.85 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -77.02 -60.88 2.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.65 87.2 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.513 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -111.08 115.74 29.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.791 0.329 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.404 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.8 m-85 -87.09 136.78 32.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.8 m -134.0 124.77 26.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -84.95 130.33 34.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.524 HG21 ' HB ' ' A' ' 26' ' ' ILE . 97.4 t -83.46 110.54 18.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.756 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -94.33 -32.94 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.423 ' N ' HG12 ' A' ' 13' ' ' ILE . 48.8 m-85 -109.22 128.85 24.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.743 . . . . 0.0 110.853 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.421 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 53.9 Cg_endo -69.77 128.61 16.27 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.395 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.544 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 23.0 t80 -131.12 137.61 49.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -112.14 111.2 21.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.497 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -55.82 112.7 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -59.14 -43.26 92.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -131.28 173.1 11.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 22' ' ' ASP . 3.5 p-10 -46.81 -60.0 2.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -36.03 -52.64 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.43 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 40.2 mp0 -67.44 147.95 52.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.497 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 7.6 tp -102.62 149.36 24.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.447 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 19.6 m -95.32 123.32 38.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.524 ' HB ' HG21 ' A' ' 12' ' ' VAL . 31.2 pt -129.1 133.49 65.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -108.1 174.07 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.421 ' CG ' ' HD3' ' A' ' 15' ' ' PRO . 51.9 mt-10 -77.11 117.26 18.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.831 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.2 40.7 3.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.439 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.1 m-20 -144.73 126.63 15.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.75 0.309 . . . . 0.0 110.847 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.404 HG21 ' CD2' ' A' ' 9' ' ' TYR . 5.2 mp -90.76 135.75 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.75 HG22 HD13 ' A' ' 49' ' ' LEU . 60.3 t -113.88 125.88 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.2 m -72.02 110.52 6.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.4 tp -59.34 109.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.658 HD11 ' HB2' ' A' ' 48' ' ' GLU . 32.1 mm -76.92 -62.16 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.133 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -140.67 144.71 35.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -70.29 165.43 22.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 17.5 t70 -95.37 162.63 13.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.58 ' O ' ' N ' ' A' ' 41' ' ' ASP . 84.3 m -51.95 163.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.714 ' H ' HD12 ' A' ' 40' ' ' ILE . 4.7 mp -32.91 -30.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' A' ' 39' ' ' CYS . 79.2 m-20 -69.34 124.67 24.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 t -89.47 149.01 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.48 -13.9 8.77 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.66 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 72.6 m95 -126.69 150.2 49.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.773 0.32 . . . . 0.0 110.919 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.66 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 11.1 m0 -160.91 155.15 23.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -115.74 142.35 46.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.0 172.94 31.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.541 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.658 ' HB2' HD11 ' A' ' 35' ' ' ILE . 8.4 tt0 -116.17 128.38 55.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.75 HD13 HG22 ' A' ' 32' ' ' VAL . 12.0 tp -144.01 112.92 6.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 61.02 46.48 8.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.95 39.82 98.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.5 mmt-85 -132.61 133.92 44.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.819 0.342 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 17.2 mtm105 -115.61 109.97 18.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.43 163.37 30.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.5 m -85.98 158.2 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -157.66 149.83 17.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.647 0.736 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.534 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 53.8 Cg_endo -69.74 120.81 7.54 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.638 2.225 . . . . 0.0 112.356 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -55.46 -31.36 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -59.14 -27.75 65.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.544 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 23.7 m-85 -83.86 -4.76 58.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.523 HG22 ' HA ' ' A' ' 58' ' ' ASP . 17.0 m -135.89 174.79 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -143.56 149.35 37.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.498 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.0 mm? -86.81 114.13 23.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.4 mt -72.42 144.73 48.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.0 t -112.37 115.5 28.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 129.3 81.82 0.29 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.5 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 127.57 14.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.26 . . . . 0.0 112.351 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.6 m -120.12 103.32 9.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.3 t -73.61 159.01 33.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.461 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.4 m -97.54 158.67 15.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 0.0 110.891 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 m -92.63 164.06 13.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.4 -43.4 1.27 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.1 p -62.92 -38.59 91.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 110.907 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 t -86.68 -51.94 5.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.34 174.17 46.48 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.533 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -146.73 145.74 30.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.816 0.341 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.487 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.7 m-85 -87.03 127.39 35.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.0 m -125.79 130.65 51.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.526 ' HB2' HD21 ' A' ' 64' ' ' LEU . 78.5 tttt -86.2 129.6 34.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.454 HG22 HG12 ' A' ' 61' ' ' VAL . 94.6 t -87.33 106.57 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.755 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -94.36 -34.46 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.45 ' N ' HG12 ' A' ' 13' ' ' ILE . 15.4 m-85 -106.24 129.09 25.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.678 0.751 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 140.88 43.54 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.475 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 86.4 t80 -146.8 140.33 25.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -112.74 120.75 42.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.457 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -62.16 110.25 1.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -68.99 -41.83 77.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -118.99 156.39 29.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -39.53 -55.53 1.8 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -44.65 -55.65 5.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -53.8 146.31 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.476 ' HG ' ' N ' ' A' ' 25' ' ' THR . 7.5 tp -104.72 151.1 24.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.476 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 20.0 m -95.86 113.36 24.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.443 ' HB ' HG21 ' A' ' 12' ' ' VAL . 29.9 pt -121.3 145.77 27.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -123.72 158.97 30.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -66.99 116.9 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.98 42.5 1.93 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -154.16 137.18 15.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.726 0.298 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.487 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.7 mp -96.11 141.68 15.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.572 HG22 HD13 ' A' ' 49' ' ' LEU . 48.6 t -124.49 136.08 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.8 m -78.28 117.78 19.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 tp -64.57 114.06 4.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.788 HD11 ' HB2' ' A' ' 48' ' ' GLU . 18.1 mm -77.18 -53.95 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -151.49 150.85 30.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -75.31 165.26 25.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.442 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 31.7 t70 -98.83 161.73 13.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.845 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.578 ' O ' ' N ' ' A' ' 41' ' ' ASP . 81.0 m -51.98 163.43 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 39' ' ' CYS . 24.1 mt -33.17 -29.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.578 ' N ' ' O ' ' A' ' 39' ' ' CYS . 76.2 m-20 -69.17 124.47 23.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.5 t -89.88 147.4 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 57' ' ' PRO . . . 122.8 -11.09 8.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.678 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 84.1 m95 -126.58 150.79 48.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.759 0.314 . . . . 0.0 110.928 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.678 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.5 m0 -164.96 154.52 13.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -117.24 123.44 46.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -134.11 160.25 24.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.51 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.788 ' HB2' HD11 ' A' ' 35' ' ' ILE . 15.5 tt0 -109.26 128.54 55.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 0.0 110.856 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.572 HD13 HG22 ' A' ' 32' ' ' VAL . 5.7 tp -142.98 125.91 16.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 62.57 33.11 16.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.26 31.92 56.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.457 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 -143.19 120.69 11.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.796 0.332 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -106.56 123.46 48.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.62 166.41 31.27 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.0 m -79.04 152.34 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.523 ' CE1' HG21 ' A' ' 61' ' ' VAL . 4.5 p90 -158.84 153.32 20.47 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.681 0.753 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 53.8 Cg_endo -69.76 107.02 1.77 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.313 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.547 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.3 t0 -44.36 -51.57 8.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -37.71 -47.6 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.475 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 6.6 m-85 -58.06 -39.0 77.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.523 HG21 ' CE1' ' A' ' 56' ' ' PHE . 31.9 m -102.8 177.94 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -145.31 157.3 44.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.497 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.6 mm? -89.19 133.62 34.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.526 HD21 ' HB2' ' A' ' 11' ' ' LYS . 36.6 mt -93.55 17.72 11.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.5 t -96.08 -57.12 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.6 84.78 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.453 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 160.14 50.76 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.299 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.1 t -89.33 149.04 23.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.0 t -88.15 151.06 22.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t -83.5 -58.72 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 110.834 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 p -70.8 131.31 43.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.44 -112.99 0.56 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t 54.14 42.07 31.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.8 t -66.18 -50.82 62.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.4 135.19 3.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -77.89 121.75 24.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -87.06 146.68 26.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.406 ' SG ' HD13 ' A' ' 63' ' ' LEU . 64.4 m -144.42 118.65 9.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.854 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -84.29 129.62 34.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.422 HG21 ' HB ' ' A' ' 26' ' ' ILE . 87.6 t -83.11 107.2 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.798 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -94.09 -32.47 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.439 ' N ' HG12 ' A' ' 13' ' ' ILE . 80.1 m-85 -107.97 123.43 37.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.645 0.735 . . . . 0.0 110.878 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 138.38 37.65 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.303 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.567 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 76.9 t80 -141.2 154.07 45.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -121.05 116.52 25.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.4 102.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 20' ' ' ASN . 1.3 pt20 -54.87 -35.9 64.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.415 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 2.3 m-80 -137.79 164.14 29.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -47.83 -41.78 24.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -50.02 -46.46 52.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.421 ' OE1' HG23 ' A' ' 55' ' ' VAL . 7.4 mm-40 -74.75 160.2 31.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 25' ' ' THR . 6.1 tp -111.85 150.56 30.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.465 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 21.6 m -90.86 130.94 36.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.186 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.422 ' HB ' HG21 ' A' ' 12' ' ' VAL . 40.0 pt -139.88 138.12 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -120.94 162.12 20.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.26 116.9 8.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.05 40.3 1.99 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.522 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -151.27 122.94 7.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.48 HD12 ' N ' ' A' ' 31' ' ' ILE . 4.5 mp -87.44 125.15 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.475 HG22 HD13 ' A' ' 49' ' ' LEU . 81.5 t -103.28 126.41 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.7 m -74.45 111.61 9.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.7 tp -60.91 107.19 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.623 HD11 ' HB2' ' A' ' 48' ' ' GLU . 47.6 mm -74.54 -61.7 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -140.35 149.01 42.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -74.03 164.43 26.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 22.7 t70 -94.06 162.45 13.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.577 ' O ' ' N ' ' A' ' 41' ' ' ASP . 4.6 t -51.99 162.95 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.461 ' C ' ' O ' ' A' ' 39' ' ' CYS . 49.3 mm -32.59 -31.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' A' ' 39' ' ' CYS . 79.8 m-20 -69.05 124.59 24.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -89.22 150.29 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.73 -13.98 9.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.673 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 76.4 m95 -126.43 151.14 48.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.756 0.312 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.68 ' CZ3' HD21 ' A' ' 63' ' ' LEU . 11.1 m0 -161.79 154.37 20.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -114.54 138.31 50.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.31 166.42 30.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.623 ' HB2' HD11 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -108.17 124.05 49.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.878 0.371 . . . . 0.0 110.918 -179.865 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.475 HD13 HG22 ' A' ' 32' ' ' VAL . 7.0 tp -141.55 111.64 6.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 66.4 40.2 3.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.13 45.5 91.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -141.13 131.75 25.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.4 mtp85 -110.54 105.97 15.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -150.48 161.26 28.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.421 HG23 ' OE1' ' A' ' 23' ' ' GLU . 27.4 m -81.61 161.43 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 111.132 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.458 ' HE1' HG21 ' A' ' 61' ' ' VAL . 8.7 p90 -160.78 152.27 16.17 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.621 0.724 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 117.6 5.18 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.587 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -54.26 -33.15 57.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -56.43 -33.56 65.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 15.9 m-85 -78.32 -2.02 36.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.458 HG21 ' HE1' ' A' ' 56' ' ' PHE . 27.2 m -138.68 176.23 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -144.96 148.8 34.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.68 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.2 mm? -84.57 111.93 19.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.7 mt -74.67 130.55 39.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -138.49 114.74 10.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.801 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.09 170.62 39.41 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.479 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 170.51 16.42 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 t -57.05 131.83 51.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 53.0 p -48.34 -46.7 36.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 m -103.58 134.08 47.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.362 . . . . 0.0 110.882 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.5 m -103.47 125.5 50.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.9 -99.57 0.46 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.4 t -102.6 144.05 31.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.352 . . . . 0.0 110.843 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 m -130.16 172.69 11.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.64 174.35 15.2 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.484 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.11 116.43 19.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.813 ' CD2' HG21 ' A' ' 31' ' ' ILE . 3.2 m-85 -86.99 121.67 29.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 79.4 m -118.86 129.89 55.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -88.03 129.04 35.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.511 HG13 HD12 ' A' ' 26' ' ' ILE . 97.8 t -85.68 107.74 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.745 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -93.73 -33.55 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.403 ' N ' HG12 ' A' ' 13' ' ' ILE . 62.6 m-85 -106.23 122.07 43.39 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.728 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 124.36 11.02 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.637 2.225 . . . . 0.0 112.345 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.549 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 80.3 t80 -125.34 142.93 51.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -112.51 110.79 21.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.446 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -54.54 102.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.471 ' HG3' ' ND2' ' A' ' 20' ' ' ASN . 4.7 tp60 -55.52 -43.4 75.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.471 ' ND2' ' HG3' ' A' ' 19' ' ' GLN . 33.3 m-80 -126.57 172.93 9.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -53.04 -47.03 68.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.03 -55.29 4.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -66.15 156.66 33.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.446 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 4.6 tp -108.59 147.62 31.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.442 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 62.5 m -89.77 118.42 29.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.511 HD12 HG13 ' A' ' 12' ' ' VAL . 50.0 pt -126.07 140.66 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -114.63 158.24 22.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -64.34 123.83 20.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.38 41.35 4.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.456 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -141.59 133.14 26.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.813 HG21 ' CD2' ' A' ' 9' ' ' TYR . 3.9 mp -92.52 136.36 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.598 HG22 HD13 ' A' ' 49' ' ' LEU . 96.7 t -121.79 123.94 70.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.151 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.7 m -72.45 111.74 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.3 tp -59.22 106.4 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.593 HD11 ' HB2' ' A' ' 48' ' ' GLU . 45.7 mm -72.09 -62.1 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.142 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -141.41 140.05 33.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -65.73 165.28 12.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 44' ' ' TRP . 33.4 t70 -93.67 161.92 14.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.573 ' O ' ' N ' ' A' ' 41' ' ' ASP . 68.0 m -51.93 162.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.461 ' C ' ' O ' ' A' ' 39' ' ' CYS . 35.4 mm -32.3 -32.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 39' ' ' CYS . 71.4 m-20 -68.67 124.66 24.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.0 t -89.35 151.04 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.68 -15.9 9.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.665 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 58.8 m95 -126.15 155.73 41.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.733 0.301 . . . . 0.0 110.953 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.665 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.4 m0 -165.41 159.61 17.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -119.63 137.25 53.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.838 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.73 163.18 29.3 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.593 ' HB2' HD11 ' A' ' 35' ' ' ILE . 8.9 tt0 -103.67 130.24 51.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.926 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.598 HD13 HG22 ' A' ' 32' ' ' VAL . 6.3 tp -144.04 125.47 14.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 49' ' ' LEU . 9.9 p30 51.98 32.33 9.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.5 46.86 17.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -142.96 131.68 22.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -110.07 111.46 22.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.99 162.78 31.51 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.6 m -80.83 165.04 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.436 ' C ' ' CD1' ' A' ' 56' ' ' PHE . 4.5 p90 -167.11 152.82 7.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.669 0.747 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.448 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 53.4 Cg_endo -69.75 116.44 4.56 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.319 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.552 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.6 t0 -52.35 -33.93 45.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -58.41 -23.91 58.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.549 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 10.9 m-85 -86.84 2.04 50.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.503 HG12 HG22 ' A' ' 12' ' ' VAL . 35.1 m -141.62 172.53 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -136.65 152.24 50.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.91 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.588 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.9 mm? -90.96 106.13 18.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.0 mt -77.3 131.1 37.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.3 m -136.4 149.46 48.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 151.46 83.61 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 130.28 19.04 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.751 2.301 . . . . 0.0 112.312 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.7 p -73.63 -47.8 37.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.0 t -60.03 130.72 48.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.513 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 m -96.63 144.53 26.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -42.53 -44.89 4.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.83 124.38 5.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.522 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 m -149.88 121.07 7.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.834 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 m -75.53 130.09 38.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.99 170.41 35.39 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.449 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -88.26 118.06 27.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.671 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.8 m-85 -87.19 130.44 34.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.4 m -123.71 130.19 52.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.544 ' HB2' HD21 ' A' ' 64' ' ' LEU . 27.1 tttm -87.64 129.87 34.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.47 HG13 HD12 ' A' ' 26' ' ' ILE . 97.9 t -87.44 107.93 17.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.742 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -95.29 -31.81 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -108.4 121.87 42.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.668 0.747 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 135.39 30.36 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.245 . . . . 0.0 112.332 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.499 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 61.1 t80 -143.12 144.88 32.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -110.1 131.2 55.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.18 104.57 5.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 20' ' ' ASN . 6.1 pt20 -59.34 -38.11 79.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.453 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 65.5 m-80 -127.34 173.35 9.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.55 -45.64 81.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -45.74 -60.28 2.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -60.41 155.14 18.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.449 ' HG ' ' N ' ' A' ' 25' ' ' THR . 6.1 tp -108.64 148.96 29.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.449 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 63.4 m -91.63 112.1 23.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.47 HD12 HG13 ' A' ' 12' ' ' VAL . 40.3 pt -119.11 137.23 53.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 27' ' ' LYS . 1.8 mppt? -113.8 161.06 18.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -64.63 120.26 12.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.99 44.76 4.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.46 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.1 m-20 -145.3 125.41 13.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.801 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.671 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.0 mp -90.21 132.55 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.853 HG22 ' HB2' ' A' ' 49' ' ' LEU . 60.1 t -117.08 127.05 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.14 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.5 m -70.53 115.9 10.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -59.48 117.59 5.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.8 HD11 ' HB2' ' A' ' 48' ' ' GLU . 20.6 mm -80.91 -55.37 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -152.51 145.46 24.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -68.76 165.14 20.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.437 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 33.2 t70 -97.08 161.54 13.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.579 ' O ' ' N ' ' A' ' 41' ' ' ASP . 3.5 m -51.98 163.25 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.716 ' H ' HD12 ' A' ' 40' ' ' ILE . 4.6 mp -32.55 -30.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' A' ' 39' ' ' CYS . 69.1 m-20 -69.39 124.51 24.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.1 t -89.47 151.84 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.18 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 57' ' ' PRO . . . 120.39 -13.26 10.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.676 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 72.7 m95 -125.98 154.12 43.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.78 0.324 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.676 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.4 m0 -165.95 152.1 9.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -114.56 119.67 37.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -132.7 159.41 23.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.8 ' HB2' HD11 ' A' ' 35' ' ' ILE . 5.4 tt0 -109.32 129.95 55.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.893 0.378 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.853 ' HB2' HG22 ' A' ' 32' ' ' VAL . 6.2 tp -144.09 124.72 14.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.471 ' ND2' ' HG ' ' A' ' 49' ' ' LEU . 76.7 m-20 63.41 34.55 12.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.71 31.11 60.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -143.01 120.88 11.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.775 0.321 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -108.72 125.26 51.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.11 165.85 31.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.5 m -79.87 141.66 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.832 0.348 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.598 ' CE1' HG21 ' A' ' 61' ' ' VAL . 4.5 p90 -148.1 153.37 41.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.634 0.731 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 53.5 Cg_endo -69.79 106.76 1.72 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 61' ' ' VAL . 1.7 t0 -41.11 -53.04 3.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' ASP . 7.0 t-20 -37.38 -49.58 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.499 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 8.0 m-85 -55.94 -39.22 71.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.598 HG21 ' CE1' ' A' ' 56' ' ' PHE . 26.3 m -102.64 178.19 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -146.74 157.34 43.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.499 ' CD2' ' CZ3' ' A' ' 45' ' ' TRP . 3.5 mm? -89.12 126.96 35.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.544 HD21 ' HB2' ' A' ' 11' ' ' LYS . 57.5 mt -83.72 155.59 23.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 m -56.28 -55.4 33.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 128.77 145.06 5.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -2.22 9.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.6 t -93.92 173.53 7.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.3 p -107.99 159.22 16.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.461 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.0 p -84.19 133.0 34.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 110.847 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 p -72.56 -39.66 67.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.77 131.84 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -45.69 -48.16 15.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 p 54.44 39.69 31.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.08 153.83 30.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.9 127.81 46.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.823 0.344 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.448 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.7 m-85 -88.9 134.58 33.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.7 m -132.4 125.42 30.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.54 ' HB3' HD21 ' A' ' 64' ' ' LEU . 11.0 ttmm -87.36 133.01 33.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.628 HG22 HG12 ' A' ' 61' ' ' VAL . 84.3 t -87.51 118.99 34.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.765 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -106.39 -29.97 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -109.75 128.0 26.16 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 125.56 12.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.242 . . . . 0.0 112.335 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.588 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 10.3 t80 -127.7 144.23 51.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -115.1 117.55 30.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.16 104.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -63.98 -41.5 97.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 21' ' ' ASP . 7.5 m120 -118.61 136.4 53.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' ASN . 3.9 p-10 -34.37 -41.28 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -54.55 -54.78 36.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.561 ' CD ' ' CG2' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -52.83 176.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.897 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 25' ' ' THR . 3.3 tp -123.56 149.33 45.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.465 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 26.8 m -96.85 128.33 43.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.157 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.421 ' HB ' HG21 ' A' ' 12' ' ' VAL . 46.8 pt -131.49 152.44 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -131.97 161.97 31.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -59.87 126.21 26.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.86 45.53 5.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.448 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.589 ' O ' HG23 ' A' ' 12' ' ' VAL . 20.1 m-20 -146.8 111.49 5.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.77 0.319 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.448 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.5 mp -84.04 124.18 39.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.448 HG22 ' HB2' ' A' ' 49' ' ' LEU . 96.7 t -108.73 122.51 63.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.0 m -67.59 109.99 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tp -58.92 113.06 1.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.632 HD11 ' HB2' ' A' ' 48' ' ' GLU . 46.0 mm -80.18 -59.4 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -140.52 141.43 35.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -68.35 165.22 19.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 44' ' ' TRP . 15.2 t70 -97.51 161.62 13.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 41' ' ' ASP . 54.5 m -52.03 163.15 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.725 ' H ' HD12 ' A' ' 40' ' ' ILE . 4.7 mp -32.56 -30.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 39' ' ' CYS . 67.4 m-20 -69.27 124.52 24.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 43' ' ' GLY . 78.7 t -89.35 155.09 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.455 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 116.97 -13.86 14.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.662 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 67.7 m95 -126.07 153.8 43.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.704 0.288 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.672 ' CZ3' HD21 ' A' ' 63' ' ' LEU . 10.3 m0 -166.0 151.94 9.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -113.68 123.77 50.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -136.61 168.03 24.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.632 ' HB2' HD11 ' A' ' 35' ' ' ILE . 0.3 OUTLIER -109.74 123.45 49.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.903 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.448 ' HB2' HG22 ' A' ' 32' ' ' VAL . 61.2 tp -136.81 119.93 16.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 56.09 40.54 30.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.45 41.89 83.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 47.8 mtt85 -140.25 123.57 16.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.852 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -107.55 107.24 17.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -147.95 165.83 28.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.561 ' CG2' ' CD ' ' A' ' 23' ' ' GLU . 27.8 m -83.25 144.51 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.861 0.362 . . . . 0.0 111.162 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -143.87 153.25 57.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.691 0.758 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 53.8 Cg_endo -69.75 107.95 1.97 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.371 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.526 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 1.4 t0 -49.83 -48.48 50.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -43.53 -43.85 5.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.588 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 9.9 m-85 -60.4 -36.78 78.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.628 HG12 HG22 ' A' ' 12' ' ' VAL . 30.5 m -102.96 174.88 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -140.01 152.34 46.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.672 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.4 mm? -85.7 122.4 29.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 11' ' ' LYS . 54.6 mt -80.77 -60.76 2.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.8 m -119.68 168.39 11.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.68 -106.42 0.5 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 165.82 29.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.1 p -82.13 -46.51 13.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' GLY . 47.4 t -86.99 127.15 35.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 69' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.458 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -77.52 -49.55 14.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.843 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 4' ' ' GLY . 5.7 t -121.83 172.53 8.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -36.1 -75.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.508 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -57.36 127.21 30.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 t -40.49 -46.25 2.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.21 176.52 40.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -112.67 117.22 31.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -89.14 153.44 20.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.4 m -147.32 130.97 16.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.55 ' CB ' HD21 ' A' ' 64' ' ' LEU . 38.7 tttp -91.35 129.13 37.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 30' ' ' ASP . 94.9 t -83.77 105.48 13.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.882 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -98.87 -30.25 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.419 ' N ' HG12 ' A' ' 13' ' ' ILE . 32.3 m-85 -107.59 131.46 21.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.646 0.736 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 134.51 28.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.652 2.235 . . . . 0.0 112.302 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.574 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 4.5 t80 -145.66 132.75 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -104.87 133.22 50.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.99 132.56 43.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.447 ' HG3' ' ND2' ' A' ' 20' ' ' ASN . 4.2 tp-100 -79.74 -45.68 18.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.447 ' ND2' ' HG3' ' A' ' 19' ' ' GLN . 30.5 m-80 -133.01 173.1 11.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -44.86 -44.12 9.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.489 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 1.7 m-20 -53.43 -52.31 59.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.1 mp0 -66.75 146.86 54.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.557 HD11 ' HB3' ' A' ' 49' ' ' LEU . 5.4 tp -112.16 143.06 43.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.2 m -85.54 138.01 32.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.459 ' HB ' HG21 ' A' ' 12' ' ' VAL . 32.0 pt -147.07 134.01 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.11 163.46 16.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -63.19 113.64 3.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.402 ' O ' ' OD1' ' A' ' 30' ' ' ASP . . . 108.44 36.81 2.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.472 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.651 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -143.54 124.33 14.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.419 HD12 ' N ' ' A' ' 31' ' ' ILE . 4.2 mp -91.6 131.53 38.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.467 HG22 HD13 ' A' ' 49' ' ' LEU . 62.4 t -117.12 132.1 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.8 m -80.65 112.48 18.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.5 tp -59.97 111.14 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.673 HD11 ' HB2' ' A' ' 48' ' ' GLU . 49.2 mm -77.21 -60.75 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -136.34 146.45 46.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -76.86 165.19 25.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 21.3 t70 -98.82 161.78 13.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 41' ' ' ASP . 17.6 m -52.05 163.03 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 39' ' ' CYS . 41.4 mm -32.97 -30.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -69.32 124.7 24.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.859 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 43' ' ' GLY . 71.5 t -88.83 154.44 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.088 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.44 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 118.32 -15.79 11.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.671 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 74.2 m95 -124.46 146.41 48.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.671 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.9 m0 -162.75 152.76 16.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -114.51 136.58 52.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.3 167.38 28.49 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.673 ' HB2' HD11 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -108.16 127.62 53.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.917 -179.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.557 ' HB3' HD11 ' A' ' 24' ' ' LEU . 7.0 tp -144.08 124.01 13.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 54.69 43.79 29.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.04 42.02 99.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.433 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -140.91 131.5 25.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -111.74 110.5 20.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 22' ' ' ASP . . . -151.61 163.27 29.92 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.2 m -81.25 158.6 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 111.09 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.43 ' CE1' HG21 ' A' ' 61' ' ' VAL . 5.4 p90 -157.37 152.88 22.19 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.643 0.735 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.491 ' HG3' ' CD2' ' A' ' 16' ' ' TYR . 53.6 Cg_endo -69.76 110.91 2.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.303 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.553 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 1.9 t0 -50.72 -49.45 57.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -42.18 -42.79 3.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 9.4 m-85 -62.53 -36.54 82.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.43 HG21 ' CE1' ' A' ' 56' ' ' PHE . 34.4 m -103.82 177.85 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -142.8 157.45 44.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.633 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.5 mm? -89.32 121.55 31.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.55 HD21 ' CB ' ' A' ' 11' ' ' LYS . 63.4 mt -80.6 169.04 18.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.5 p -75.91 -43.01 47.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 136.63 -110.68 0.8 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 68' ' ' SER . 54.0 Cg_endo -69.75 96.34 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 67' ' ' PRO . 53.0 p -34.58 -45.99 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.2 t -130.54 166.8 19.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.884 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 -179.948 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -93.93 122.22 36.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.875 0.369 . . . . 0.0 110.835 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 p -139.56 125.5 19.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.824 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.51 -159.99 24.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 m -113.19 174.94 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.907 0.384 . . . . 0.0 110.84 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 m -148.71 158.47 44.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.4 -171.94 31.25 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -119.61 136.67 54.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -87.47 126.02 34.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.971 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.6 m -124.91 128.55 48.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.4 tttp -85.18 132.09 34.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.489 HG13 HD12 ' A' ' 26' ' ' ILE . 95.5 t -88.89 108.19 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.747 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -100.73 -27.81 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -110.78 129.74 23.64 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.633 0.73 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 139.72 41.06 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.556 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 87.6 t80 -143.04 118.18 10.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -94.55 110.16 22.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.462 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -58.91 131.69 51.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -90.57 -41.3 11.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -114.01 167.7 10.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -53.31 -45.53 69.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -53.4 -51.28 63.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.462 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 26.6 mt-10 -59.59 140.54 56.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.6 tp -101.04 144.59 29.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.9 m -92.68 111.99 23.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.489 HD12 HG13 ' A' ' 12' ' ' VAL . 34.8 pt -123.68 141.94 42.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -121.4 156.35 32.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -59.73 112.88 1.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.84 40.33 1.1 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.468 ' O ' HG23 ' A' ' 12' ' ' VAL . 5.0 m-20 -153.98 134.44 13.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.474 HD12 ' N ' ' A' ' 31' ' ' ILE . 3.3 mp -94.75 141.2 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.149 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.1 t -123.23 128.45 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.1 m -75.08 113.55 12.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -61.87 107.41 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.728 HG22 HD22 ' A' ' 36' ' ' ASN . 23.7 mm -73.17 -58.72 4.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.728 HD22 HG22 ' A' ' 35' ' ' ILE . 2.8 m-80 -148.06 149.24 31.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -69.65 165.19 21.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.417 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 33.9 t70 -91.74 162.2 14.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.577 ' O ' ' N ' ' A' ' 41' ' ' ASP . 63.0 m -51.98 162.86 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 39' ' ' CYS . 22.0 mt -32.03 -32.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' A' ' 39' ' ' CYS . 9.6 m-20 -69.17 124.48 23.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.3 t -88.57 150.65 3.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.59 -14.06 9.29 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.451 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.669 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 69.6 m95 -126.33 158.25 36.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.771 0.319 . . . . 0.0 110.914 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.669 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.5 m0 -164.1 153.41 13.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -112.87 130.02 56.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.93 160.4 27.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.521 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -108.2 120.68 43.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.916 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.9 tp -128.89 111.0 12.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 66.78 32.38 6.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.84 -23.17 18.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -84.42 121.14 27.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 53' ' ' ARG . 6.2 ttp-105 -106.71 123.92 48.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.16 164.82 32.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.5 m -79.47 159.9 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 111.09 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.421 ' C ' ' CD1' ' A' ' 56' ' ' PHE . 3.8 p90 -163.5 152.48 12.15 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.669 0.747 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.465 ' HG2' ' CD1' ' A' ' 60' ' ' PHE . 53.5 Cg_endo -69.78 119.6 6.52 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.336 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -54.64 -43.43 72.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.489 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 17.2 t-20 -48.29 -36.73 14.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.556 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 10.5 m-85 -67.18 -38.52 85.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' A' ' 58' ' ' ASP . 17.9 m -103.45 179.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -144.28 154.92 43.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.543 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.7 mm? -90.22 125.16 35.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.4 mt -89.03 153.38 21.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.1 p -87.2 119.07 27.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.8 -91.92 1.77 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 100.19 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 t -134.32 111.58 10.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.5 m -46.18 -57.09 4.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.446 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 m 59.38 42.46 17.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.828 0.347 . . . . 0.0 110.831 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.2 m -122.61 112.78 18.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.73 -79.37 0.43 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.539 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.2 t -57.03 -50.23 73.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.832 0.349 . . . . 0.0 110.838 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 t -87.87 139.39 30.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.829 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.39 -92.24 2.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.465 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -132.19 138.35 47.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.404 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.7 m-85 -86.92 129.2 34.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.536 ' SG ' HD13 ' A' ' 63' ' ' LEU . 66.8 m -127.7 127.62 44.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -84.11 129.85 34.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 30' ' ' ASP . 76.7 t -87.41 106.84 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.116 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.816 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.56 -30.64 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.412 ' N ' HG12 ' A' ' 13' ' ' ILE . 20.9 m-85 -106.88 121.7 44.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.645 0.736 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 133.4 25.47 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.374 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -126.48 157.28 39.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.957 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -127.12 107.28 9.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.65 115.3 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 20' ' ' ASN . 1.9 pt20 -72.42 -34.45 67.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.465 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 4.1 m-80 -134.61 166.79 22.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -47.92 -55.55 9.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -40.29 -45.34 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -72.58 149.43 44.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 tp -107.58 140.36 40.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.4 m -92.76 137.08 32.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.718 HG22 HD22 ' A' ' 49' ' ' LEU . 25.1 pt -143.19 151.14 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.65 161.84 19.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -69.87 111.07 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.93 39.42 1.07 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.624 ' O ' HG23 ' A' ' 12' ' ' VAL . 14.3 m-20 -149.03 132.86 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.761 0.315 . . . . 0.0 110.847 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.404 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.8 mp -94.76 131.08 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.582 HG22 HD13 ' A' ' 49' ' ' LEU . 99.2 t -110.31 128.3 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.3 m -75.75 112.03 11.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.3 tp -58.49 107.49 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.813 HD11 ' HB2' ' A' ' 48' ' ' GLU . 48.0 mm -73.16 -59.23 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -144.56 144.71 31.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -70.12 165.19 22.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 44' ' ' TRP . 23.6 t70 -95.23 161.9 13.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.598 ' O ' ' N ' ' A' ' 41' ' ' ASP . 23.4 m -52.09 163.57 0.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 39' ' ' CYS . 60.1 mt -32.52 -30.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.598 ' N ' ' O ' ' A' ' 39' ' ' CYS . 3.7 m-20 -69.17 124.5 23.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.832 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 43' ' ' GLY . 61.1 t -90.6 152.24 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.4 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 120.81 -15.41 9.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.661 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 62.8 m95 -126.21 155.87 41.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.74 0.305 . . . . 0.0 110.944 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.661 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.1 m0 -164.16 153.57 13.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -113.77 128.2 56.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.49 164.14 26.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.813 ' HB2' HD11 ' A' ' 35' ' ' ILE . 11.7 tt0 -106.89 127.96 53.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.87 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.718 HD22 HG22 ' A' ' 26' ' ' ILE . 26.8 tp -144.1 116.76 8.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 58.99 39.57 23.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.58 48.32 57.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.474 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -142.99 127.6 18.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.89 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -109.77 107.61 17.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.3 165.1 30.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.4 m -83.15 165.56 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.439 ' C ' ' CD1' ' A' ' 56' ' ' PHE . 4.4 p90 -167.24 153.23 7.52 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.686 0.755 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 116.05 4.37 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.389 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.587 ' HB2' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -53.46 -45.81 69.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.492 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 5.2 p-10 -44.85 -39.91 5.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -63.35 -38.52 91.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' A' ' 58' ' ' ASP . 19.3 m -103.56 177.26 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -142.47 151.02 41.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.558 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.2 mm? -88.17 128.62 35.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.5 mt -96.04 162.53 13.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.6 m -99.37 146.98 25.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -163.84 156.96 29.06 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 1.92 4.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.631 2.221 . . . . 0.0 112.29 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.3 p -83.39 160.99 21.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.5 m -140.18 152.24 45.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.797 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 t -118.82 121.09 39.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 0.0 110.859 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 t -45.12 -58.91 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.66 159.85 0.28 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.6 m -72.14 124.86 25.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.853 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -123.21 147.7 46.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.58 -134.42 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.465 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -114.91 146.29 41.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.557 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.7 m-85 -89.62 131.24 35.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.7 m -126.65 126.43 43.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.432 ' CB ' HD21 ' A' ' 64' ' ' LEU . 61.0 tttt -84.25 131.68 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.66 HG22 HG12 ' A' ' 61' ' ' VAL . 57.5 t -89.74 117.03 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.162 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.424 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -102.56 -30.84 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.488 ' HB3' ' CD2' ' A' ' 60' ' ' PHE . 8.1 m-85 -107.41 125.05 33.27 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.662 0.744 . . . . 0.0 110.828 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 134.54 28.2 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.386 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.437 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 78.0 t80 -143.45 138.55 29.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -110.25 123.59 50.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.29 125.46 25.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.461 ' HG3' ' N ' ' A' ' 20' ' ' ASN . 7.5 pt20 -81.22 -38.93 26.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.461 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 41.2 m-80 -120.81 167.47 12.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -54.55 -44.89 73.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.431 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 21.5 t0 -52.31 -47.89 65.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -67.6 145.24 55.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.514 HD11 ' HB3' ' A' ' 49' ' ' LEU . 6.1 tp -102.22 140.04 37.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.7 m -88.5 118.31 28.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.68 HG22 HD22 ' A' ' 49' ' ' LEU . 38.1 pt -122.29 136.34 59.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -115.43 168.11 10.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -72.57 107.3 5.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.35 36.16 1.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -142.79 139.03 30.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.809 0.337 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.557 HG21 ' CD2' ' A' ' 9' ' ' TYR . 3.4 mp -102.83 125.85 57.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.703 HG22 HD13 ' A' ' 49' ' ' LEU . 99.0 t -98.51 151.26 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.4 m -102.55 108.68 20.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 tp -57.61 104.35 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.4 mt -83.62 -55.75 6.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -134.63 138.63 44.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -73.96 165.3 25.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.423 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 13.6 t70 -102.12 161.51 13.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.586 ' O ' ' N ' ' A' ' 41' ' ' ASP . 2.7 m -52.05 163.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 39' ' ' CYS . 23.8 mt -33.28 -29.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 39' ' ' CYS . 17.5 m-20 -69.17 124.53 24.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 43' ' ' GLY . 82.6 t -89.32 153.69 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.426 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 118.4 -13.3 12.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.52 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.667 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 76.2 m95 -126.12 149.77 48.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.735 0.302 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.667 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 9.9 m0 -166.4 159.59 14.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -117.77 136.99 53.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.471 ' HA3' ' CG1' ' A' ' 32' ' ' VAL . . . -153.94 173.05 32.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.519 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -110.01 128.41 55.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.379 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.703 HD13 HG22 ' A' ' 32' ' ' VAL . 12.2 tp -144.09 116.51 8.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 62.24 42.06 9.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.94 43.62 97.21 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -141.37 130.08 22.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.323 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -108.46 106.22 16.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.431 ' CA ' ' O ' ' A' ' 22' ' ' ASP . . . -153.22 166.11 31.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 36.0 m -79.16 158.91 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.36 . . . . 0.0 111.187 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.434 ' C ' ' CD1' ' A' ' 56' ' ' PHE . 6.2 p90 -155.83 152.84 24.82 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.659 0.742 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.418 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 54.2 Cg_endo -69.74 106.88 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.682 2.255 . . . . 0.0 112.351 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.472 ' CG ' ' CZ3' ' A' ' 45' ' ' TRP . 4.0 t0 -48.18 -48.78 34.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -43.3 -46.18 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.488 ' CD2' ' HB3' ' A' ' 14' ' ' PHE . 10.3 m-85 -57.55 -37.76 73.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.66 HG12 HG22 ' A' ' 12' ' ' VAL . 30.2 m -103.36 177.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -142.48 158.8 43.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.415 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 2.9 mm? -89.41 122.16 32.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.432 HD21 ' CB ' ' A' ' 11' ' ' LYS . 60.6 mt -80.15 143.83 33.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.967 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.5 p -113.81 -37.17 4.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -54.55 -64.9 3.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 94.7 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.704 2.269 . . . . 0.0 112.34 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.2 t -164.99 155.49 14.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.4 t -90.14 107.76 19.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.485 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 t -63.92 145.97 54.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 t -144.18 127.54 16.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.22 -71.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -114.13 150.43 34.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 110.858 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.8 p -115.63 172.55 7.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.74 158.92 30.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -66.71 114.86 5.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.346 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.425 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.8 m-85 -87.02 128.07 35.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.4 m -125.26 127.27 46.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.574 ' CB ' HD21 ' A' ' 64' ' ' LEU . 34.2 tttp -86.88 129.57 34.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.555 HG22 HG12 ' A' ' 61' ' ' VAL . 97.8 t -85.12 112.33 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.475 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -103.26 -26.85 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -112.35 122.88 35.44 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.645 0.736 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 136.18 32.36 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.564 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 80.3 t80 -138.62 139.37 38.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -107.44 111.72 24.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.47 136.98 57.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.116 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -84.85 -47.92 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -130.98 170.66 14.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -44.92 -42.64 8.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -50.34 -47.97 55.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -76.28 147.76 38.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.479 ' HG ' ' N ' ' A' ' 25' ' ' THR . 6.9 tp -104.85 150.85 24.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.479 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 19.8 m -96.6 128.15 43.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.0 pt -137.09 140.83 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -116.49 169.2 9.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -73.27 116.5 13.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.49 40.86 2.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.422 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.7 m-20 -148.23 132.86 17.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.328 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.425 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.3 mp -96.96 132.59 41.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.756 HG22 HD13 ' A' ' 49' ' ' LEU . 93.0 t -116.58 126.86 74.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.8 m -71.07 127.02 31.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tp -72.99 111.61 8.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.442 HD11 ' HB2' ' A' ' 48' ' ' GLU . 41.7 mm -78.1 -61.55 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -136.88 146.52 45.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -74.73 165.31 25.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 29.2 t70 -99.57 162.76 12.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 41' ' ' ASP . 2.4 m -51.93 162.76 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' CYS . 49.9 mm -34.29 -28.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.567 ' N ' ' O ' ' A' ' 39' ' ' CYS . 80.8 m-20 -68.87 124.78 24.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.0 t -88.71 146.62 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.33 -11.39 9.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.522 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.667 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 86.9 m95 -126.6 146.68 50.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.667 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.8 m0 -163.0 154.81 17.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -117.36 133.04 56.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.0 171.55 26.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.442 ' HB2' HD11 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -110.4 127.32 55.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.89 -179.902 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.756 HD13 HG22 ' A' ' 32' ' ' VAL . 34.1 tp -141.56 114.34 8.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 62.25 41.13 10.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.93 41.78 95.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.467 ' HA ' ' CZ ' ' A' ' 52' ' ' ARG . 1.5 mmp_? -137.44 130.7 30.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.777 0.322 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.0 mtm-85 -109.65 110.93 22.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.13 162.86 31.62 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.0 m -79.38 165.58 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 56' ' ' PHE . 4.9 p90 -165.99 153.16 9.1 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.676 0.75 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 111.97 2.96 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.707 2.271 . . . . 0.0 112.345 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.555 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 2.7 t0 -50.05 -46.62 53.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.832 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -45.74 -43.09 12.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.564 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 5.7 m-85 -59.92 -37.43 79.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.555 HG12 HG22 ' A' ' 12' ' ' VAL . 18.1 m -103.34 174.99 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.9 ttmm -138.65 153.36 48.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.944 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.638 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.1 mm? -89.01 106.77 18.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.574 HD21 ' CB ' ' A' ' 11' ' ' LYS . 15.1 mt -75.57 154.97 36.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.1 p -88.78 -49.96 6.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.29 75.3 0.38 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.5 3.47 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.642 2.228 . . . . 0.0 112.353 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.7 m -49.7 -44.53 48.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.8 m 56.44 42.26 27.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -88.0 -50.88 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.8 p -86.09 127.66 34.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.18 104.56 3.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 p -48.45 -45.17 36.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.896 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.8 p -62.58 -55.11 30.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.84 122.73 30.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -101.64 147.49 26.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.617 ' CD2' HG21 ' A' ' 31' ' ' ILE . 3.4 m-85 -88.17 125.15 34.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.8 m -121.29 126.64 50.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -83.92 129.1 34.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.472 HG21 ' HB ' ' A' ' 26' ' ' ILE . 94.0 t -87.38 107.77 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.167 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.799 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -99.97 -32.24 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.427 ' N ' HG12 ' A' ' 13' ' ' ILE . 49.1 m-85 -103.76 124.75 36.75 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.659 0.743 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 128.54 16.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.493 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 72.2 t80 -130.04 153.58 48.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -121.86 115.03 21.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.49 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -56.74 137.66 54.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.447 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 27.5 tp60 -78.52 -45.56 21.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -144.87 175.35 10.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -40.57 -37.85 0.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.85 -46.22 90.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' CD ' ' HB3' ' A' ' 19' ' ' GLN . 33.5 mt-10 -74.23 144.14 44.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.532 HD11 ' HB3' ' A' ' 49' ' ' LEU . 5.8 tp -104.46 150.4 24.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.472 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 90.8 m -97.77 136.32 38.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.472 ' HB ' HG21 ' A' ' 12' ' ' VAL . 22.7 pt -142.79 134.09 24.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.471 ' HD3' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -116.32 153.12 32.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -57.77 109.83 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.72 40.27 0.86 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.409 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.5 m-20 -154.12 136.31 14.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.617 HG21 ' CD2' ' A' ' 9' ' ' TYR . 3.8 mp -98.4 137.17 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.171 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.429 HG22 HD13 ' A' ' 49' ' ' LEU . 49.5 t -119.93 122.04 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.3 m -70.67 114.71 9.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' A' ' 45' ' ' TRP . 8.0 tp -62.52 110.23 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.3 mm -76.65 -58.55 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -137.59 143.96 41.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.8 mttp -74.75 164.7 26.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.431 ' CG ' ' HB2' ' A' ' 44' ' ' TRP . 11.7 t70 -98.95 161.57 13.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.581 ' O ' ' N ' ' A' ' 41' ' ' ASP . 95.4 m -52.02 163.15 0.38 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 39' ' ' CYS . 28.0 mt -33.05 -30.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 39' ' ' CYS . 1.8 m-20 -69.27 124.5 24.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 43' ' ' GLY . 66.4 t -89.39 153.19 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.413 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 120.0 -15.85 10.21 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.67 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 76.1 m95 -123.57 150.93 43.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.745 0.307 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.67 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 10.2 m0 -166.53 152.57 8.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -116.01 132.67 56.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.07 169.04 26.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -108.21 125.32 51.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.899 0.381 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.532 ' HB3' HD11 ' A' ' 24' ' ' LEU . 15.3 tp -136.87 120.21 16.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 52.81 41.1 31.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.8 42.2 80.06 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -136.64 126.99 26.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.331 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.1 mtm-85 -109.46 107.75 18.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.89 160.66 29.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.467 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.9 m -79.59 152.04 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 111.135 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -151.28 152.87 31.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.412 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 53.8 Cg_endo -69.75 112.75 3.16 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.553 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 1.3 t0 -52.33 -49.53 64.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -42.04 -40.36 2.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.493 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 7.4 m-85 -65.09 -36.89 85.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.483 HG22 ' HA ' ' A' ' 58' ' ' ASP . 13.2 m -102.85 174.39 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.096 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -139.98 155.81 46.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.574 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 3.7 mm? -89.29 121.04 31.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.5 mt -77.3 113.34 14.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.3 t 57.23 42.11 25.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.822 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.33 89.49 0.38 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 113.34 3.34 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.649 2.233 . . . . 0.0 112.365 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.4 t -131.11 137.54 49.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.3 m -84.21 150.83 25.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.953 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.4 m -59.21 -46.97 87.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 0.0 110.865 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 m 61.77 42.74 10.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.92 159.11 27.61 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -126.28 131.06 51.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.881 0.372 . . . . 0.0 110.897 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 t -107.43 144.33 34.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.96 178.36 42.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -121.3 115.82 23.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.504 ' CD2' HG21 ' A' ' 31' ' ' ILE . 2.9 m-85 -87.66 142.29 27.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.7 m -139.11 126.21 21.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -87.82 130.48 34.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 30' ' ' ASP . 76.5 t -82.44 111.7 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.547 HD13 ' H ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.81 -28.23 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.434 ' N ' HG12 ' A' ' 13' ' ' ILE . 11.2 m-85 -111.67 126.68 28.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 120.54 7.31 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.325 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.559 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 76.5 t80 -122.91 142.91 50.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -116.47 114.98 24.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.27 134.4 53.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -88.09 -39.89 14.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -129.43 156.28 44.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -39.65 -37.53 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.85 -50.35 70.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -67.66 153.96 42.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.449 ' HG ' ' N ' ' A' ' 25' ' ' THR . 7.7 tp -108.57 150.57 27.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.561 ' O ' HD23 ' A' ' 49' ' ' LEU . 99.2 m -92.73 130.19 38.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.62 HG22 HD22 ' A' ' 49' ' ' LEU . 40.3 pt -139.7 140.7 36.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.55 149.18 47.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -54.67 114.65 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.32 39.4 1.24 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.526 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.9 m-20 -153.59 130.9 11.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.83 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.504 HG21 ' CD2' ' A' ' 9' ' ' TYR . 4.5 mp -94.43 125.61 47.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.756 HG22 HD13 ' A' ' 49' ' ' LEU . 84.8 t -106.21 126.7 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.6 m -74.42 118.13 17.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.6 tp -66.99 112.77 4.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.518 HG22 ' ND2' ' A' ' 36' ' ' ASN . 35.4 mm -79.43 -60.73 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.518 ' ND2' HG22 ' A' ' 35' ' ' ILE . 63.5 m-80 -137.54 146.8 44.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -74.87 165.87 24.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 14.3 t70 -98.2 162.2 13.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.545 ' O ' ' N ' ' A' ' 41' ' ' ASP . 79.8 m -51.93 162.8 0.4 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.473 ' C ' ' O ' ' A' ' 39' ' ' CYS . 72.5 mt -32.07 -33.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.545 ' N ' ' O ' ' A' ' 39' ' ' CYS . 37.5 m-20 -68.19 124.66 24.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 43' ' ' GLY . 78.4 t -88.17 154.7 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.44 ' N ' HG12 ' A' ' 42' ' ' VAL . . . 119.21 -18.75 10.22 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.664 ' O ' ' CD1' ' A' ' 45' ' ' TRP . 75.8 m95 -120.95 146.56 46.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.706 0.288 . . . . 0.0 110.943 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.664 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 11.2 m0 -161.64 152.12 17.55 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -114.51 137.65 51.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -153.16 163.85 30.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -100.71 129.33 46.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.861 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.756 HD13 HG22 ' A' ' 32' ' ' VAL . 29.0 tp -143.75 114.7 7.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 62.13 42.62 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.63 38.03 95.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.537 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.0 mtp85 -136.2 131.18 34.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.775 0.322 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -110.12 110.62 21.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.48 166.11 32.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.505 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.2 m -83.25 163.47 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 111.157 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 56' ' ' PHE . 8.3 p90 -164.44 152.92 11.09 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.665 0.745 . . . . 0.0 110.837 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 43' ' ' GLY . 53.5 Cg_endo -69.82 118.47 5.7 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.628 2.219 . . . . 0.0 112.339 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.556 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 1.7 t0 -57.2 -32.81 66.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -57.11 -33.11 67.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.559 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 16.7 m-85 -78.34 -1.9 35.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.446 HG22 ' HA ' ' A' ' 58' ' ' ASP . 33.1 m -139.01 174.81 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -144.01 154.38 43.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.612 HD21 ' CZ3' ' A' ' 45' ' ' TRP . 4.3 mm? -87.77 114.73 24.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.4 mt -74.77 111.07 9.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.8 m -83.62 159.9 21.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.414 ' HA3' ' HD2' ' A' ' 67' ' ' PRO . . . 152.07 -137.95 6.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.414 ' HD2' ' HA3' ' A' ' 66' ' ' GLY . 53.8 Cg_endo -69.76 -14.29 35.89 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.692 2.261 . . . . 0.0 112.349 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.1 p -63.49 127.29 30.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -157.32 154.05 28.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.989 . . . . . . . . 0 0 . 1 stop_ save_